SCHEMBL13449702

SCHEMBL13449702

C[C@H](N)C(=O)Nc1ccc(C(=O)Cn2c(-c3nonc3NCCC#N)nc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 3/20 0.53
MAPT P10636 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 4/20 0.48
HTT P42858 3/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.46
THRB P10828 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BCHE P06276 2/20 0.45
LMNA P02545 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13449688 0.94 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL13449710 0.93 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL15472845 0.92 MAPT (0.51) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL13449709 0.92 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL11890507 0.91 MAPT (0.54) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL15441559 0.90 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL13449707 0.90 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL2582550 0.90 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL13449705 0.90 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL13449690 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11419856-B2 Pharmaceutical combinations for use in the treatment of neoplastic diseases Basilea Pharmaceutica International AG (CH) 2022-08-23 US disclosed
US-20220031670-A1 PHARMACEUTICAL COMBINATIONS FOR USE IN THE TREATMENT OF NEOPLASTIC DISEASES BASILEA PHARM INT AG (CH) 2022-02-03 US disclosed
US-20200390749-A1 PHARMACEUTICAL COMBINATIONS FOR USE IN THE TREATMENT OF NEOPLASTIC DISEASES BASILEA PHARM INT AG (CH) 2020-12-17 US disclosed
US-20200237730-A1 NOVEL DOSAGE PRINCIPLE FOR DRUGS USEFUL FOR TREATING NEOPLASTIC DISEASES Basilea Pharmaceutica International AG (CH) 2020-07-30 US disclosed
US-10724072-B2 Use of phospho-Akt as a biomarker of drug response BASILEA PHARMACEUTICA AG (CH) 2020-07-28 US disclosed
US-10656162-B2 Use of glu-tubulin as a biomarker of drug response to furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2020-05-19 US disclosed
US-10222377-B2 Use of BUBR1 as a biomarker of drug response to furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2019-03-05 US disclosed
US-9995754-B2 Use of glu-tubulin as a biomarker of drug response to furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2018-06-12 US disclosed
US-9995754-B2 Use of glu-tubulin as a biomarker of drug response to furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2018-06-12 US disclosed
US-9970938-B2 Use of BUBR1 as a biomarker of drug response to furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2018-05-15 US disclosed
EP-2666014-B1 USE OF GLU-TUBULIN AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2016-10-05 EP disclosed
US-9366682-B2 Use of stathmin as a biomarker of drug response to furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2016-06-14 US disclosed
EP-2459553-B1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG (CH) 2014-10-01 EP disclosed
US-8802858-B2 Furazanobenzimidazoles as prodrugs to treat neoplastic or autoimmune diseases BASILEA PHARMACEUTICA AG (CH) 2014-08-12 US disclosed
US-8802858-B2 Furazanobenzimidazoles as prodrugs to treat neoplastic or autoimmune diseases BASILEA PHARMACEUTICA AG (CH) 2014-08-12 US disclosed
US-20140080872-A1 USE OF PHOSPHO-AKT AS A BIOMARKER OF DRUG RESPONSE BASILEA PHARMACEUTICA AG (CH) 2014-03-20 US disclosed
US-20140045897-A1 USE OF BUBR1 AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2014-02-13 US disclosed
US-20140024686-A1 USE OF GLU-TUBULIN AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2014-01-23 US disclosed
US-20140024686-A1 USE OF GLU-TUBULIN AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2014-01-23 US disclosed
US-20120264792-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG 2012-10-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10724072-B2 Use of phospho-Akt as a biomarker of drug response AKT3, AKT1S1, AKT2 ALDH1A1 4829/4885KDM4E 3884/4885HSD17B10 2197/4885
US-20120264792-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES SSB, VHL, AHR ALDH1A1 838/4885KDM4E 926/4885HSD17B10 701/4885
US-10656162-B2 Use of glu-tubulin as a biomarker of drug response to furazanobenzimidazoles TUBB, TUBB1, TUBB6 ALDH1A1 1153/4885KDM4E 4206/4885HSD17B10 2199/4885
US-20140024686-A1 USE OF GLU-TUBULIN AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES TUBB, TUBB1, TUBB6 ALDH1A1 1153/4885KDM4E 4206/4885HSD17B10 2199/4885
US-20140045897-A1 USE OF BUBR1 AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BUB1B, BUB1, BUB3 ALDH1A1 1640/4885KDM4E 2211/4885HSD17B10 1484/4885
US-20200390749-A1 PHARMACEUTICAL COMBINATIONS FOR USE IN THE TREATMENT OF NEOPLASTIC DISEASES ERLIN1, EDNRB, ERLIN2 ALDH1A1 838/4885KDM4E 4438/4885HSD17B10 894/4885
US-11419856-B2 Pharmaceutical combinations for use in the treatment of neoplastic diseases ERLIN1, EDNRB, ERLIN2 ALDH1A1 838/4885KDM4E 4438/4885HSD17B10 894/4885
US-10222377-B2 Use of BUBR1 as a biomarker of drug response to furazanobenzimidazoles BUB1B, BUB1, BUB3 ALDH1A1 1640/4885KDM4E 2211/4885HSD17B10 1484/4885
US-20200237730-A1 NOVEL DOSAGE PRINCIPLE FOR DRUGS USEFUL FOR TREATING NEOPLASTIC DISEASES SLC10A1, SLC10A2, SLC5A11 ALDH1A1 846/4885KDM4E 2492/4885HSD17B10 853/4885
US-20220031670-A1 PHARMACEUTICAL COMBINATIONS FOR USE IN THE TREATMENT OF NEOPLASTIC DISEASES KRAS, GLS, SLC28A1 ALDH1A1 358/4885KDM4E 4124/4885HSD17B10 2025/4885
US-20140080872-A1 USE OF PHOSPHO-AKT AS A BIOMARKER OF DRUG RESPONSE AKT3, AKT1S1, AKT2 ALDH1A1 4641/4885KDM4E 2928/4885HSD17B10 1677/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.