SCHEMBL161067

SCHEMBL161067

COc1cc2ncnc(Nc3ccccc3N3CCOCC3)c2cc1N

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.63
SRC P12931 5/20 0.57
KCNH2 Q12809 2/20 0.51
KDR P35968 4/20 0.51
FLT1 P17948 1/20 0.51
RET P07949 1/20 0.51
HDAC1 Q13547 1/20 0.49

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
SCHEMBL4890611 0.92 EGFR (0.67) EGFRSRCKCNH2KDRFLT1
SCHEMBL158086 0.84 ABCG2 (0.62) EGFRSRCKCNH2KDR
SCHEMBL28798349 0.80 PDE10A (0.50) EGFRSRCKCNH2KDRRET
SCHEMBL15050423 0.80 EGFR (0.54) EGFRSRCKDRRETHDAC1
SCHEMBL15050417 0.80 EGFR (0.56) EGFRSRC
SCHEMBL28798385 0.80 EGFR (0.56) EGFRSRCKDRRET
SCHEMBL28798364 0.79 EGFR (0.49) EGFRSRCKDR
SCHEMBL29713885 0.79 EGFR (0.49) EGFRSRCKDR
SCHEMBL28798340 0.77 PDE10A (0.47) EGFRSRCKCNH2KDR
SCHEMBL29713896 0.77 PDE10A (0.47) EGFRSRCKCNH2KDR

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 4690/4885SRC 4623/4885KCNH2 1457/4885

“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.