SCHEMBL16655186

SCHEMBL16655186

C=CC(=O)Nc1ccc(NC(=O)[C@H]2CNC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 14/20 0.69
▸ CDK9 P50750 14/20 0.69
▸ CDK7 P50613 14/20 0.69
▸ CCNH P51946 13/20 0.69
▸ MNAT1 P51948 9/20 0.69
▸ EGFR P00533 3/20 0.69
▸ CDK2 P24941 12/20 0.67
▸ CCNA2 P20248 5/20 0.67
▸ CCNK O75909 10/20 0.65
▸ CDK12 Q9NYV4 10/20 0.65
▸ CCNE1 P24864 7/20 0.65
▸ CDK13 Q14004 3/20 0.62
▸ CRBN Q96SW2 1/20 0.57

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
SCHEMBL21397482 1.00 CCNT1 (0.69) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16655099 1.00 CCNT1 (0.69) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL21397428 1.00 CCNT1 (0.69) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL21397381 0.95 EGFR (0.70) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16654856 0.94 CCNT1 (0.65) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16665759 0.94 CCNT1 (0.65) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16665623 0.90 CDK7 (0.68) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16653869 0.90 CCNT1 (0.64) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16654303 0.88 CCNT1 (0.64) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL21397470 0.87 CDK9 (0.68) CCNT1CDK9CDK7CCNHMNAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 — — US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 — — US disclosed
EP-3057964-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2016-08-24 — — EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 — — WO disclosed
WO-2015057659-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 — — 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 (2 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 CCNT1 28/4885CDK9 8/4885CDK7 1/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CCNT1 33/4885CDK9 12/4885CDK7 1/4885

“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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