SCHEMBL14331114

SCHEMBL14331114

COc1ccc(-n2c3cnccc3c3c4ccc5cc6c(c7ccc(cc32)c4c57)c2ccncc2n6-c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ HASPIN Q8TF76 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CHUK O15111 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ CYP19A1 P11511 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CLK1 P49759 4/20 0.38
▸ CDK5 Q00535 4/20 0.38
▸ DYRK1A Q13627 4/20 0.38
▸ CDK5R1 Q15078 4/20 0.38
▸ CLK2 P49760 2/20 0.38

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
SCHEMBL14329637 0.95 CYP19A1 (0.41) CDK4CDK6HASPINMAPTCHUK
SCHEMBL14331578 0.81 MGAT2 (0.38) HASPINCYP19A1CYP3A4DYRK1AG6PD
SCHEMBL14329625 0.81 CDK4 (0.39) CDK4CDK6MAPTDYRK1AMEN1
SCHEMBL14330583 0.78 MGAT2 (0.35) CYP3A4DYRK1AG6PDCYP11B1CYP11B2
SCHEMBL14330576 0.78 MAOA (0.39) CDK4CDK6KDM4EACHEATM
SCHEMBL14330623 0.76 CDK4 (0.37) CDK4CDK6DYRK1A
SCHEMBL14330597 0.75 CDK4 (0.35) CDK4CDK6DYRK1AACHE
SCHEMBL14329628 0.74 TOP2A (0.34) CDK4CDK6MAPTRAB9A
SCHEMBL14329640 0.73 TOP2A (0.37) CDK4CDK6
SCHEMBL14330590 0.73 KDM4C (0.37) CDK4CDK6DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — US 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-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D CDK4 17/4885CDK6 732/4885HASPIN 2759/4885

“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.

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