SCHEMBL3378095

SCHEMBL3378095

O=[N+]([O-])c1ccc2c(cnn2Cc2ccc(F)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.57
GRIN1 Q05586 10/20 0.45
GRIN2B Q13224 10/20 0.45
ACHE P22303 2/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
MAOB P27338 1/20 0.37
NOS1 P29475 1/20 0.37
CCR2 P41597 1/20 0.36

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
SCHEMBL5435879 0.86 GLS (0.61) GLSACHECNR2CNR1POLB
SCHEMBL11002083 0.86 GLS (0.67) GLSACHECNR2CNR1POLB
SCHEMBL5447907 0.86 GLS (0.57) GLSACHECNR2CNR1MAPT
SCHEMBL31661588 0.86 GLS (0.57) GLSGRIN1GRIN2BACHECNR2
SCHEMBL1728790 0.81 GLS (0.64) GLSACHECNR2CNR1MAPT
SCHEMBL30729901 0.81 GLS (0.57) GLSGRIN1GRIN2BACHECNR2
SCHEMBL217553 0.81 GLS (0.57) GLSGRIN1GRIN2BACHECNR2
SCHEMBL4201077 0.81 PLG (0.44) GLSMAOB
SCHEMBL31661426 0.80 GLS (0.62) GLSACHECNR2CNR1POLB
SCHEMBL29377015 0.80 GLS (0.58) GLSGRIN1GRIN2BACHECNR2

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 903/4885GRIN1 1833/4885GRIN2B 2593/4885

“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.