SCHEMBL18047442

SCHEMBL18047442

CN(C)CC=CC(=O)Nc1cccc(CN2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 0.71
▸ CDK9 P50750 16/20 0.71
▸ CCNH P51946 16/20 0.71
▸ CCNK O75909 15/20 0.71
▸ CDK12 Q9NYV4 15/20 0.71
▸ CCNT1 O60563 14/20 0.71
▸ CDK2 P24941 14/20 0.71
▸ CDK13 Q14004 12/20 0.71
▸ CCNA2 P20248 10/20 0.71
▸ MNAT1 P51948 12/20 0.67
▸ CDK3 Q00526 1/20 0.67
▸ RPS6KA3 P51812 1/20 0.65
▸ CDK5 Q00535 3/20 0.64
▸ CDK1 P06493 2/20 0.64
▸ CDK8 P49336 1/20 0.64
▸ MAPK8 P45983 3/20 0.64
▸ MAPK9 P45984 3/20 0.64
▸ CDK5R1 Q15078 2/20 0.64
▸ MAP3K11 Q16584 2/20 0.64
▸ CCNB1 P14635 1/20 0.64

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
SCHEMBL16665625 1.00 CDK7 (0.71) CDK7CDK9CCNHCCNKCDK12
SCHEMBL16655414 0.94 CDK7 (0.79) CDK7CDK9CCNHCCNKCDK12
SCHEMBL16655417 0.94 CDK7 (0.79) CDK7CDK9CCNHCCNKCDK12
SCHEMBL16655094 0.90 CDK7 (0.81) CDK7CDK9CCNHCCNKCDK12
SCHEMBL16655097 0.90 CDK7 (0.81) CDK7CDK9CCNHCCNKCDK12
SCHEMBL16655098 0.90 CDK7 (0.81) CDK7CDK9CCNHCCNKCDK12
SCHEMBL16655091 0.90 CDK7 (0.81) CDK7CDK9CCNHCCNKCDK12
SCHEMBL21397480 0.90 CDK2 (0.59) CDK7CDK9CCNHCCNKCDK12
SCHEMBL18078674 0.89 CDK2 (0.67) CDK7CDK9CCNHCCNKCDK12
SCHEMBL16655887 0.89 CDK2 (0.63) CDK7CDK9CCNHCCNKCDK12

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-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

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 CDK7 1/4885CDK9 8/4885CCNH 32/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK7 1/4885CDK9 12/4885CCNH 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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