SCHEMBL4886926

SCHEMBL4886926

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1OC1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.70
ERBB2 P04626 5/20 0.69
KDR P35968 7/20 0.67
FLT1 P17948 6/20 0.67
EPHA2 P29317 4/20 0.67
EPHB4 P54760 4/20 0.67
FGFR1 P11362 3/20 0.65
FLT4 P35916 2/20 0.63
EPHB2 P29323 2/20 0.61
RIPK2 O43353 1/20 0.61
RET P07949 1/20 0.61
MET P08581 1/20 0.61
TEC P42680 1/20 0.61
EPHA4 P54764 1/20 0.61
BTK Q06187 1/20 0.61
KCNH2 Q12809 1/20 0.61
TNK1 Q13470 1/20 0.61
RIPK3 Q9Y572 1/20 0.61

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
SCHEMBL3387916 0.95 EGFR (0.66) EGFRERBB2KDRFLT1EPHA2
SCHEMBL14843767 0.93 EGFR (0.70) EGFRERBB2KDRFLT1EPHA2
SCHEMBL29453264 0.93 EGFR (0.70) EGFRERBB2KDRFLT1EPHA2
Hydrochloric Acid SCHEMBL29453261 0.92 EGFR (0.69) EGFRERBB2KDRFLT1EPHA2
Hydrochloric Acid SCHEMBL14843281 0.92 EGFR (0.69) EGFRERBB2KDRFLT1EPHA2
Hydrochloric Acid SCHEMBL29453265 0.92 EGFR (0.69) EGFRERBB2KDRFLT1EPHA2
SCHEMBL3392679 0.91 KDR (0.69) EGFRERBB2KDRFLT1EPHA2
Hydrochloric Acid SCHEMBL4086431 0.89 FLT1 (0.78) EGFRKDRFLT1EPHA2EPHB4
SCHEMBL16075708 0.89 EGFR (0.64) EGFRERBB2KDRFLT1EPHA2
Hydrochloric Acid SCHEMBL4086485 0.88 EGFR (0.77) EGFRERBB2KDRFLT1EPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329795-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB 2012-12-27 US disclosed
US-8318752-B2 antiproliferative agent in the prevention or treatment of tumors which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases ASTRAZENECA AB (SE) 2012-11-27 US disclosed
US-20080096881-A1 Quinazoline Derivatives ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20070037837-A1 Antiproliferative agent in the prevention or treatment of tumors which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases;1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-L-prolinamide ASTRAZENECA AB (SE) 2007-02-15 US disclosed
EP-1670782-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-14 EP disclosed
EP-1667992-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
EP-1670782-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-06-21 EP disclosed
EP-1667992-A1 QUINAZOLINE DERIVATIVES Astrazeneca AB (SE) 2006-06-14 EP disclosed
WO-2005028470-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-31 WO disclosed
WO-2005028469-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-31 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-20120329795-A1 QUINAZOLINE DERIVATIVES EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885KDR 41/4885
US-20070037837-A1 Antiproliferative agent in the prevention or treatment of tumors which are sensitive to inhibition of EGF and erbB receptor tyrosine kinases;1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-L-prolinamide EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885KDR 63/4885
US-20080096881-A1 Quinazoline Derivatives EGFR, ERBB2, ERBB3 EGFR 1/4885ERBB2 2/4885KDR 55/4885

“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.