SCHEMBL14329637

SCHEMBL14329637

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.41
▸ CDK4 P11802 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CUL4A Q13619 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HASPIN Q8TF76 1/20 0.38
▸ G6PD P11413 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37

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
SCHEMBL14331114 0.95 CDK4 (0.42) CYP19A1CDK4CDK6MEN1KMT2A
SCHEMBL14330583 0.79 MGAT2 (0.35) HPGDCYP3A4G6PD
SCHEMBL14331578 0.78 MGAT2 (0.38) CYP19A1CYP3A4HASPING6PD
SCHEMBL14329625 0.77 CDK4 (0.39) CDK4CDK6MEN1KMT2AMAPT
SCHEMBL14330576 0.74 MAOA (0.39) CDK4CDK6HPGDKDM4EALDH1A1
SCHEMBL14329614 0.74 KIF11 (0.38) CYP19A1GAAPIK3CDPIK3CAPIK3CB
SCHEMBL14330623 0.72 CDK4 (0.37) CDK4CDK6
SCHEMBL14330597 0.71 CDK4 (0.35) CDK4CDK6
SCHEMBL14329628 0.70 TOP2A (0.34) CDK4CDK6SMN1; SMN2HPGDALDH1A1
SCHEMBL14330549 0.70 MGAT2 (0.35) HPGDCYP3A4G6PD

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 CYP19A1 57/4885CDK4 17/4885CDK6 732/4885

“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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