SCHEMBL1160486

SCHEMBL1160486

NCC(=O)Nc1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
HTT P42858 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
BCHE P06276 1/20 0.54
TP53 P04637 1/20 0.53

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
Hydrochloric Acid SCHEMBL1160502 0.99 KDM4E (0.57) KDM4EHTTALDH1A1HPGDTSHR
SCHEMBL11891125 0.87 KDM4E (0.55) KDM4ETSHRSMN1; SMN2MAPTCYP1A2
SCHEMBL1160543 0.85 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2MAPTBCHETP53
SCHEMBL11890508 0.85 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MAPTBCHETP53
Hydrochloric Acid SCHEMBL13276206 0.84 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2MAPTBCHETP53
SCHEMBL11890502 0.84 KDM4E (0.73) KDM4ETSHRSMN1; SMN2MAPTBCHE
SCHEMBL23118938 0.83 KDM4E (0.53) KDM4EHTTALDH1A1HPGDTSHR
SCHEMBL17826523 0.83 ALDH1A1 (0.55) KDM4EHTTALDH1A1HPGDTSHR
SCHEMBL2584579 0.83 KDM4E (0.58) KDM4EHTTALDH1A1HPGDTSHR
Avanbulin SCHEMBL29374555 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDTSHRHSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459553-B1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG (CH) 2014-10-01 EP 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-8802858-B2 Furazanobenzimidazoles as prodrugs to treat neoplastic or autoimmune diseases BASILEA PHARMACEUTICA AG (CH) 2014-08-12 US disclosed
US-20120264792-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG 2012-10-18 US disclosed
US-20120264792-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG 2012-10-18 US disclosed
US-20120264792-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG 2012-10-18 US disclosed
EP-2459553-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES Basilea Pharmaceutica AG (CH) 2012-06-06 EP disclosed
WO-2011012577-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES BASILEA PHARMACEUTICA AG (CH) 2011-02-03 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 (1 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-20120264792-A1 FURAZANOBENZIMIDAZOLES AS PRODRUGS TO TREAT NEOPLASTIC OR AUTOIMMUNE DISEASES SSB, VHL, AHR KDM4E 926/4885HTT 1879/4885ALDH1A1 838/4885

“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.