SCHEMBL3376326

SCHEMBL3376326

O=[N+]([O-])c1ccc2c(cnn2Cc2ncco2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.57
KDR P35968 1/20 0.39
SLC6A2 P23975 1/20 0.36
SERPINE1 P05121 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
NPC1 O15118 1/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
CDC7 O00311 1/20 0.35
CNR1 P21554 2/20 0.35
ACHE P22303 2/20 0.35
CNR2 P34972 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL3376567 0.79 CHEK1 (0.40) ADORA2AADORA1KCNH2
SCHEMBL11002083 0.78 GLS (0.67) GLSADORA2AADORA1CNR1ACHE
SCHEMBL31661426 0.78 GLS (0.62) GLSSLC6A2CNR1ACHECNR2
SCHEMBL29377752 0.77 GLS (0.62) GLSNPC1POLBALDH1A1
SCHEMBL3375263 0.77 GLS (0.58) GLSKDRSLC6A2NPC1CNR1
SCHEMBL938567 0.77 GLS (0.62) GLSNPC1POLBALDH1A1
SCHEMBL1728790 0.76 GLS (0.64) GLSCNR1ACHECNR2MAPT
SCHEMBL3380368 0.75 GLS (0.56) GLSKDRNPC1POLBMAPT
SCHEMBL5347812 0.75 GLS (0.70) GLSKDRSLC6A2NPC1CNR1
SCHEMBL10982770 0.75 GLS (0.70) GLSSLC6A2NPC1POLBMAPT

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 6 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
CN-101273033-A 4- (iH-indazol-s-yl-amino)-quinazoline compounds as ERBB receptor tyrosine kinase inhibitors for the treatment of cancer ASTRAZENECA AB (SE) 2008-09-24 CN 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 903/4885KDR 18/4885SLC6A2 2835/4885

“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.