SCHEMBL160997

SCHEMBL160997

COc1cc2ncnc(Nc3ccc4ncccc4c3)c2cc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.68
KDR P35968 7/20 0.58
RET P07949 6/20 0.58
CLK1 P49759 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
LCK P06239 4/20 0.56
ATM Q13315 1/20 0.53
ERBB2 P04626 1/20 0.53
ERBB4 Q15303 1/20 0.53
SRC P12931 1/20 0.53
KIF5B P33176 1/20 0.53
FLT1 P17948 1/20 0.52
GAK O14976 1/20 0.52
RIPK2 O43353 1/20 0.52
STK10 O94804 1/20 0.52
FLT3 P36888 1/20 0.52
JAK3 P52333 1/20 0.52
AAK1 Q2M2I8 1/20 0.52
Q6ZSR9 Q6ZSR9 1/20 0.52
SLK Q9H2G2 1/20 0.52

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
SCHEMBL8976743 0.91 EGFR (0.69) EGFRKDRRETCLK1ABCG2
SCHEMBL156167 0.88 EGFR (0.69) EGFRKDRRETCLK1ABCG2
SCHEMBL159107 0.83 EGFR (0.68) EGFRKDRRETCLK1ABCG2
SCHEMBL8976408 0.81 EGFR (1.00) EGFRATMERBB2ERBB4
SCHEMBL19885303 0.81 EGFR (0.80) EGFRKDRRETLCKSRC
Hydrochloric Acid SCHEMBL8976577 0.81 EGFR (0.70) EGFRKDRRETCLK1ABCG2
SCHEMBL31193396 0.80 KDR (0.56) EGFRKDRATMERBB2ERBB4
SCHEMBL1418218 0.80 EGFR (0.82) EGFRKDRRETABCG2LCK
SCHEMBL31193464 0.79 KDR (0.57) EGFRKDRRETABCG2LCK
SCHEMBL1417950 0.79 EGFR (0.82) EGFRKDRRETLCKERBB2

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-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP disclosed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US disclosed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 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-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX EGFR 4690/4885KDR 4712/4885RET 4064/4885

“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.