SCHEMBL3380368

SCHEMBL3380368

Cc1ncc(Cn2ncc3cc([N+](=O)[O-])ccc32)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.56
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARG Q86W56 3/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KDR P35968 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4203266 0.81 PLG (0.43) GLSHTTSMN1; SMN2PARGNPC1
SCHEMBL3377342 0.80 CHEK1 (0.43) SMN1; SMN2PARGKDM4E
SCHEMBL31661588 0.78 GLS (0.57) GLSNPC1MAPTKMT2AMEN1
SCHEMBL11002083 0.77 GLS (0.67) GLSMAPTKMT2AKDM4EMEN1
SCHEMBL5347812 0.77 GLS (0.70) GLSNPC1MAPTKMT2APKM
SCHEMBL3375263 0.76 GLS (0.58) GLSNPC1MAPTKMT2AKDM4E
SCHEMBL3376326 0.75 GLS (0.57) GLSNPC1MAPTPKMALDH1A1
SCHEMBL31661521 0.75 GLS (0.60) GLSHTTSMN1; SMN2NPC1MAPT
SCHEMBL3376227 0.75 GLS (0.60) GLSNPC1MAPTPKMALDH1A1
SCHEMBL1728790 0.75 GLS (0.64) GLSMAPTPKMALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928861-B1 4- (IH-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
US-7820683-B2 4-(1H-indazol-5-yl-amino)-quinazoline compounds as erbB receptor tyrosine kinase inhibitors for the treatment of cancer ASTRAZENECA AB (SE) 2010-10-26 US disclosed
US-20090048251-A1 4-(1H-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-02-19 US disclosed
EP-1928861-A1 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-06-11 EP disclosed
WO-2007034144-A1 4- (IH-INDAZOL-S-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-03-29 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-20090048251-A1 4-(1H-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 GLS 903/4885HTT 4345/4885SMN1; SMN2 4652/4885

“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.