SCHEMBL16655126

SCHEMBL16655126

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

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 14/20 0.68
▸ CDK7 P50613 14/20 0.68
▸ CCNH P51946 14/20 0.68
▸ CCNT1 O60563 13/20 0.68
▸ CDK2 P24941 10/20 0.68
▸ MNAT1 P51948 9/20 0.68
▸ CCNA2 P20248 8/20 0.68
▸ EGFR P00533 3/20 0.66
▸ CCNK O75909 9/20 0.63
▸ CDK12 Q9NYV4 9/20 0.63
▸ CDK13 Q14004 8/20 0.63
▸ CCNE1 P24864 1/20 0.58
▸ JUN P05412 2/20 0.57
▸ MAPK8 P45983 2/20 0.57
▸ MAPK9 P45984 2/20 0.57
▸ MAPK10 P53779 1/20 0.56
▸ CDK3 Q00526 1/20 0.56

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
SCHEMBL16655127 1.00 CDK9 (0.68) CDK9CDK7CCNHCCNT1CDK2
SCHEMBL18047426 1.00 CDK9 (0.68) CDK9CDK7CCNHCCNT1CDK2
SCHEMBL16655128 1.00 CDK9 (0.68) CDK9CDK7CCNHCCNT1CDK2
SCHEMBL21397470 1.00 CDK9 (0.68) CDK9CDK7CCNHCCNT1CDK2
SCHEMBL16665694 1.00 CDK9 (0.68) CDK9CDK7CCNHCCNT1CDK2
SCHEMBL16665778 0.93 CDK9 (0.64) CDK9CDK7CCNHCCNT1CDK2
SCHEMBL21397471 0.93 CDK9 (0.64) CDK9CDK7CCNHCCNT1CDK2
SCHEMBL16665631 0.93 CDK9 (0.64) CDK9CDK7CCNHCCNT1CDK2
SCHEMBL18047413 0.91 CDK2 (0.62) CDK9CDK7CCNHCCNT1CDK2
SCHEMBL18047412 0.91 CDK2 (0.62) CDK9CDK7CCNHCCNT1CDK2

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
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-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) 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 (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 CDK9 8/4885CDK7 1/4885CCNH 32/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK9 12/4885CDK7 1/4885CCNH 32/4885

“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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