SCHEMBL3376313

SCHEMBL3376313

COc1cccc(Cn2ncc3cc([N+](=O)[O-])ccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.54
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MGLL Q99685 1/20 0.47
ABHD6 Q9BV23 1/20 0.47
EGFR P00533 1/20 0.47
HTT P42858 1/20 0.46
AURKA O14965 1/20 0.46
GRK2 P25098 1/20 0.46
ROCK1 Q13464 1/20 0.46
RPS6KA1 Q15418 1/20 0.46
ROCK2 O75116 1/20 0.46
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45

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
SCHEMBL20401101 0.87 GLS (0.57) GLSMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1728790 0.83 GLS (0.64) GLSMAPTALDH1A1
SCHEMBL3510164 0.83 GLS (0.50) GLSMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL30729901 0.83 GLS (0.57) GLSMAPTMEN1KMT2AEGFR
SCHEMBL217553 0.83 GLS (0.57) GLSMAPTMEN1KMT2AEGFR
SCHEMBL11002083 0.81 GLS (0.67) GLSMAPTMEN1KMT2APOLB
SCHEMBL4194784 0.81 MAPT (0.51) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3379521 0.80 EGFR (0.57) MEN1KMT2AABHD6EGFRAURKA
SCHEMBL3506368 0.80 GLS (0.54) GLSALDH1A1POLBHTTADORA2A
SCHEMBL25252708 0.80 PKM (0.48) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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 903/4885MAPT 3173/4885SMN1; 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.