SCHEMBL16655252

SCHEMBL16655252

CN(C)CC=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 19/20 1.00
▸ CCNH P51946 19/20 1.00
▸ CCNK O75909 18/20 1.00
▸ CDK12 Q9NYV4 17/20 1.00
▸ CDK9 P50750 16/20 1.00
▸ CCNT1 O60563 15/20 1.00
▸ CDK13 Q14004 14/20 1.00
▸ CCNA2 P20248 14/20 1.00
▸ CDK2 P24941 14/20 1.00
▸ MNAT1 P51948 11/20 1.00
▸ CDK3 Q00526 1/20 1.00
▸ RPS6KA3 P51812 1/20 0.71

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
SCHEMBL16664894 1.00 CDK7 (1.00) CDK7CCNHCCNKCDK12CDK9
SCHEMBL29392974 1.00 CDK7 (1.00) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16655251 1.00 CDK7 (1.00) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16655248 1.00 CDK7 (1.00) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16655250 1.00 CDK7 (1.00) CDK7CCNHCCNKCDK12CDK9
SCHEMBL29434977 1.00 CDK7 (1.00) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16655070 0.97 CCNK (1.00) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16655118 0.97 CCNK (1.00) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16655115 0.97 CCNK (1.00) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16655072 0.97 CCNK (1.00) CDK7CCNHCCNKCDK12CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101707-A1 A METHOD OF PREVENTING, ALLEVIATING OR TREATING A TUMOR JIANGSU ALPHAMAB BIOPHARMACEUTICALS CO., LTD. (CN) 2024-03-28 — — US disclosed
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-06-22 — — US disclosed
US-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-08-08 — — US disclosed
EP-3057955-B1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2018-04-11 — — EP disclosed
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS, INC. (US) 2016-09-15 — — US disclosed
EP-3057955-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058126-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS, INC. (US) 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 (4 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-20190241541-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK4 CDK7 1/4885CCNH 29/4885CCNK 8/4885
US-11040957-B2 Heteroaromatic compounds useful for the treatment of proliferative diseases CDK7, CDK3, CDK4 CDK7 1/4885CCNH 29/4885CCNK 8/4885
US-20160264551-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK7 1/4885CCNH 30/4885CCNK 12/4885
US-20240101707-A1 A METHOD OF PREVENTING, ALLEVIATING OR TREATING A TUMOR CDK2, CDK12, CDK1 CDK7 45/4885CCNH 56/4885CCNK 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.

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