SCHEMBL3606262

SCHEMBL3606262

c1ccc2c(Nc3ccc4[nH]ccc4c3)ncnc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.73
FLT1 P17948 5/20 0.62
KDR P35968 3/20 0.61
PRKD1 Q15139 1/20 0.58
TGFBR1 P36897 1/20 0.57
MET P08581 1/20 0.57
ABCG2 Q9UNQ0 3/20 0.56
DAPK3 O43293 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56
ERBB2 P04626 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
LTK P29376 1/20 0.56
MAPK8 P45983 1/20 0.56
CSNK1A1 P48729 1/20 0.56
RPS6KA3 P51812 1/20 0.56
LIMK1 P53667 1/20 0.56
MAP2K1 Q02750 1/20 0.56
ACVR1 Q04771 1/20 0.56

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
Hydrochloric Acid SCHEMBL8593958 0.99 EGFR (0.72) EGFRFLT1KDRPRKD1TGFBR1
SCHEMBL8093519 0.85 EGFR (1.00) EGFRFLT1ERBB2PIK3CAPIK3CG
SCHEMBL1733829 0.84 EGFR (0.76) EGFRFLT1KDRERBB2PIK3CA
SCHEMBL27545981 0.84 EGFR (0.69) EGFRFLT1KDRERBB2PIK3CA
SCHEMBL7535216 0.84 EGFR (0.65) EGFRFLT1KDRPRKD1ERBB2
SCHEMBL31514622 0.84 EGFR (0.69) EGFRFLT1KDRERBB2PIK3CA
SCHEMBL30302532 0.83 EGFR (0.58) EGFRFLT1KDRPRKD1TGFBR1
SCHEMBL22803770 0.83 EGFR (0.58) EGFRFLT1KDRPRKD1TGFBR1
SCHEMBL7976688 0.83 EGFR (0.67) EGFRFLT1KDRMETERBB2
SCHEMBL7983292 0.83 EGFR (0.67) EGFRFLT1KDRPRKD1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029696-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-09-24 US disclosed
EP-1877397-B1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF EGF AND/OR ERBB2 RECEPTOR TYROSINE KINASE ASTRAZENECA AB (SE) 2009-08-05 EP disclosed
US-20090023759-A1 Quinazoline Derivatives as Inhibitors of EGF and/or erbB2 Receptor Tyrosine Kinase ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1940825-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS Astra Zeneca AB (SE) 2008-07-09 EP disclosed
EP-1877397-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF EGF AND/OR ERBB2 RECEPTOR TYROSINE KINASE AstraZeneca AB (SE) 2008-01-16 EP disclosed
EP-1858885-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2007-11-28 EP disclosed
WO-2007034143-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2007-03-29 WO disclosed
WO-2006117521-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF EGF AND/OR ERBB2 RECEPTOR TYROSINE KINASE ASTRAZENECA AB (SE) 2006-11-09 WO disclosed
WO-2006092574-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2006-09-08 WO disclosed
US-6391872-B1 SENSITIVE TO ADRENERGIC ANTAGONIST PFIZER INC 2002-05-21 US disclosed
EP-1028946-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999023077-A1 INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-05-14 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 (3 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-20090023759-A1 Quinazoline Derivatives as Inhibitors of EGF and/or erbB2 Receptor Tyrosine Kinase ERBB2, EGFR, ERBB3 EGFR 2/4885FLT1 21/4885KDR 8/4885
US-20090239861-A1 QUINAZOLINE DERIVATIVES AS ANTICANCER AGENTS ABL1, ERBB2, CDK2 EGFR 7/4885FLT1 93/4885KDR 19/4885
US-20100029696-A1 INDOLYLAMINO QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ERBB2, ABL1, MKI67 EGFR 4/4885FLT1 49/4885KDR 20/4885

“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.