SCHEMBL4371005

SCHEMBL4371005

COc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.66
EGFR P00533 17/20 0.64
KDR P35968 14/20 0.64
AURKA O14965 10/20 0.63
TEK Q02763 10/20 0.63
AURKB Q96GD4 9/20 0.63
PDGFRB P09619 8/20 0.63
ERBB2 P04626 7/20 0.63
FLT4 P35916 6/20 0.63

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 SCHEMBL4380718 0.94 RET (0.73) RETEGFRKDRAURKATEK
Hydrochloric Acid SCHEMBL4380784 0.93 EGFR (0.67) RETEGFRKDRERBB2FLT4
SCHEMBL4374345 0.92 RET (0.62) RETEGFRKDRERBB2FLT4
Hydrochloric Acid SCHEMBL4373085 0.91 SRC (0.72) RETEGFRKDRAURKAAURKB
SCHEMBL4379923 0.89 KDR (0.71) RETEGFRKDRERBB2
SCHEMBL4383740 0.89 RET (0.75) RETEGFRKDRERBB2FLT4
SCHEMBL4225635 0.88 ERBB2 (0.59) RETEGFRKDRERBB2
SCHEMBL4232649 0.88 ERBB2 (0.59) RETEGFRKDRERBB2
SCHEMBL4386211 0.88 EGFR (0.64) EGFRKDRAURKATEKAURKB
SCHEMBL4371016 0.87 RET (0.69) RETEGFRKDRERBB2FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-7074800-B1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2006-07-11 US disclosed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 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 (2 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR RET 637/4885EGFR 500/4885KDR 3/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 RET 1047/4885EGFR 549/4885KDR 4/4885

“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.