SCHEMBL3376227

SCHEMBL3376227

O=[N+]([O-])c1ccc2c(cnn2Cc2cscn2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.60
ERBB2 P04626 4/20 0.41
METAP1 P53582 1/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDR P35968 1/20 0.35
CNR1 P21554 2/20 0.35
ACHE P22303 2/20 0.35
CNR2 P34972 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.35
NOS1 P29475 1/20 0.35
SERPINE1 P05121 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
SLC6A2 P23975 1/20 0.34
PKM P14618 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
SCHEMBL3506156 0.80 PLG (0.45) GLSMETAP1NPC1ALDH1A1SLC6A2
SCHEMBL29377752 0.80 GLS (0.62) GLSERBB2NPC1ALDH1A1POLB
SCHEMBL938567 0.80 GLS (0.62) GLSERBB2NPC1ALDH1A1POLB
SCHEMBL3373609 0.79 ERBB2 (0.46) GLSERBB2
SCHEMBL11002083 0.78 GLS (0.67) GLSCNR1ACHECNR2MAPT
SCHEMBL3375263 0.77 GLS (0.58) GLSERBB2NPC1KDRCNR1
SCHEMBL31661521 0.76 GLS (0.60) GLSNPC1ALDH1A1MAPTSERPINE1
SCHEMBL1728790 0.76 GLS (0.64) GLSALDH1A1CNR1ACHECNR2
SCHEMBL3380368 0.75 GLS (0.56) GLSNPC1ALDH1A1KDRMAPT
SCHEMBL30918023 0.75 RECQL (0.55) ERBB2METAP1NPC1POLB

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 7 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
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 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 903/4885ERBB2 1/4885METAP1 1638/4885

“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.