SCHEMBL2582149

SCHEMBL2582149

O=C(Cn1c(-c2nonc2NCCCO)nc2ccccc21)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
USP2 O75604 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CTSD P07339 1/20 0.53
GUSB P08236 1/20 0.53
POLB P06746 1/20 0.53
BCHE P06276 2/20 0.49
CXCR3 P49682 1/20 0.49
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HTT P42858 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL11302849 0.93 ALDH1A1 (0.51) TSHRUSP2NPSR1CTSDGUSB
SCHEMBL1384956 0.88 ALDH1A1 (0.56) TSHRUSP2NPSR1CTSDGUSB
SCHEMBL2578815 0.87 CTSD (0.51) TSHRUSP2NPSR1CTSDGUSB
SCHEMBL2575692 0.86 CTSD (0.58) TSHRUSP2NPSR1CTSDGUSB
SCHEMBL2581454 0.84 KDM4E (0.69) TSHRNPSR1CTSDGUSBPOLB
SCHEMBL1385523 0.83 KDM4E (0.71) TSHRCTSDGUSBBCHEKDM4E
SCHEMBL11891125 0.81 KDM4E (0.55) TSHRBCHEKDM4ESMN1; SMN2CYP1A2
SCHEMBL23118938 0.80 KDM4E (0.53) TSHRBCHEKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2584579 0.80 KDM4E (0.58) TSHRBCHEKDM4ESMN1; SMN2ALDH1A1
SCHEMBL18791198 0.79 ALDH1A1 (0.59) TSHRUSP2NPSR1BCHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636215-B1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2008-01-23 EP claimed
US-10724072-B2 Use of phospho-Akt as a biomarker of drug response BASILEA PHARMACEUTICA AG (CH) 2020-07-28 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-20190010536-A1 USE OF PHOSPHO-AKT AS A BIOMARKER OF DRUG RESPONSE BASILEA PHARMACEUTICA AG (CH) 2019-01-10 US disclosed
US-10067120-B2 Use of acetylated tubulin as a biomarker of drug response to furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2018-09-04 US disclosed
US-10006078-B2 Use of phospho-Akt as a biomarker of drug response BASILEA PHARMACEUTICA AG (CH) 2018-06-26 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
US-20170122934-A1 USE OF ACETYLATED TUBULIN AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2017-05-04 US disclosed
EP-2691533-B1 USE OF PHOSPHO-AKT AS A BIOMARKER OF DRUG RESPONSE BASILEA PHARMACEUTICA AG (CH) 2017-04-05 EP disclosed
US-20130345263-A1 USE OF STATHMIN AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2013-12-26 US disclosed
EP-2666015-A1 USE OF STATHMIN AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES Basilea Pharmaceutica AG (CH) 2013-11-27 EP disclosed
WO-2012130887-A1 USE OF PHOSPHO-AKT AS A BIOMARKER OF DRUG RESPONSE BASILEA PHARMACEUTICA AG (CH) 2012-10-04 WO disclosed
WO-2012098208-A1 USE OF STATHMIN AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2012-07-26 WO disclosed
US-RE42890-E1 Furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2011-11-01 US disclosed
US-7385061-B2 4-[1-(6-amino-3-pyridylcarbonylmethyl)-1H-benzimidazol-2-yl]-furazan-3-yl]-N-(2-cyanoethyl)-amine; treatment of neoplastic and autoimmune diseases BASILEA PHARMACEUTICA AG (CH) 2008-06-10 US disclosed
EP-1636215-B1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2008-01-23 EP disclosed
US-20070043061-A1 Furazanobenzimidazoles BASILEA PHARMACEUTICA AG 2007-02-22 US disclosed
EP-1636215-A1 FURAZANOBENZIMIDAZOLES Basilea Pharmaceutica AG (CH) 2006-03-22 EP disclosed
WO-2004103994-A1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2004-12-02 WO 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 (7 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 TSHR 818/4885USP2 3382/4885NPSR1 2434/4885
US-20190010536-A1 USE OF PHOSPHO-AKT AS A BIOMARKER OF DRUG RESPONSE AKT3, AKT1S1, AKT2 TSHR 818/4885USP2 3382/4885NPSR1 2434/4885
US-10067120-B2 Use of acetylated tubulin as a biomarker of drug response to furazanobenzimidazoles TUBB1, TUBB, TUBB6 TSHR 4281/4885USP2 2022/4885NPSR1 4358/4885
US-20130345263-A1 USE OF STATHMIN AS A BIOMARKER OF DRUG RESPONSE TO FURAZANOBENZIMIDAZOLES STMN1, STMN2, MYADM TSHR 3734/4885USP2 1557/4885NPSR1 3914/4885
US-10222377-B2 Use of BUBR1 as a biomarker of drug response to furazanobenzimidazoles BUB1B, BUB1, BUB3 TSHR 2717/4885USP2 483/4885NPSR1 2386/4885
US-10006078-B2 Use of phospho-Akt as a biomarker of drug response AKT3, AKT2, AKT1S1 TSHR 3124/4885USP2 2993/4885NPSR1 2588/4885
US-20070043061-A1 Furazanobenzimidazoles FOXO1, CYP2F1, OXER1 TSHR 1025/4885USP2 3733/4885NPSR1 2596/4885

“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.