SCHEMBL18074101

SCHEMBL18074101

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@H]2CCC(Nc3ncc(Cl)c(-c4cc[nH]n4)n3)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.67
▸ CCNH P51946 15/20 0.67
▸ CCNK O75909 13/20 0.67
▸ CDK12 Q9NYV4 13/20 0.67
▸ CDK9 P50750 12/20 0.67
▸ CCNT1 O60563 11/20 0.67
▸ MNAT1 P51948 7/20 0.67
▸ CDK13 Q14004 9/20 0.53
▸ CCNA2 P20248 7/20 0.53
▸ CDK2 P24941 7/20 0.53
▸ RPS6KA3 P51812 1/20 0.53
▸ MAPK8 P45983 2/20 0.52
▸ MAPK9 P45984 2/20 0.52
▸ CDK3 Q00526 1/20 0.51

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
SCHEMBL21397338 1.00 CDK7 (0.67) CDK7CCNHCCNKCDK12CDK9
SCHEMBL18047427 1.00 CDK7 (0.67) CDK7CCNHCCNKCDK12CDK9
SCHEMBL18047428 1.00 CDK7 (0.67) CDK7CCNHCCNKCDK12CDK9
SCHEMBL18047410 1.00 CDK7 (0.67) CDK7CCNHCCNKCDK12CDK9
SCHEMBL18047409 1.00 CDK7 (0.67) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16665598 0.91 CDK7 (0.56) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16654911 0.86 CCNK (0.68) CDK7CCNHCCNKCDK12CDK9
SCHEMBL16654909 0.86 CCNK (0.68) CDK7CCNHCCNKCDK12CDK9
SCHEMBL18047431 0.85 CDK7 (0.68) CDK7CCNHCCNKCDK12CDK9
SCHEMBL21397365 0.85 CDK7 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CDK7 1/4885CCNH 32/4885CCNK 9/4885

“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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