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SCHEMBL159135

SCHEMBL159135

CNc1ncnc2cc(OC)c(NC(=O)C3CCCN3C(=O)C(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.69
▸ CYP2C9 P11712 2/20 0.69
▸ XIAP P98170 2/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ EGFR P00533 8/20 0.39
▸ KDR P35968 5/20 0.39
▸ ERBB2 P04626 3/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ FGFR2 P21802 2/20 0.39
▸ FLT4 P35916 2/20 0.39
▸ TEK Q02763 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ RET P07949 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ BIRC3 Q13489 1/20 0.35
▸ BIRC2 Q13490 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL15050161 1.00 CYP3A4 (0.69) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL173373 0.91 CYP3A4 (0.62) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL15050089 0.91 CYP3A4 (0.62) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL15050373 0.90 CYP3A4 (0.62) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL15050577 0.90 CYP3A4 (0.60) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL15050359 0.90 CYP3A4 (0.60) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL15050274 0.88 CYP3A4 (0.59) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL170983 0.88 CYP3A4 (0.59) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL157902 0.88 CYP3A4 (0.88) CYP3A4CYP2C9XIAPCYP2C19EGFR
SCHEMBL15050347 0.88 CYP3A4 (0.88) CYP3A4CYP2C9XIAPCYP2C19EGFR

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 CYP3A4 2789/4885CYP2C9 4083/4885XIAP 24/4885

“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.