SCHEMBL21397427

SCHEMBL21397427

C=CC(=O)Nc1ccc(NC(=O)C2C[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.63
▸ CDK9 P50750 14/20 0.63
▸ CCNH P51946 14/20 0.63
▸ CCNT1 O60563 13/20 0.63
▸ MNAT1 P51948 10/20 0.63
▸ CDK2 P24941 10/20 0.63
▸ CCNA2 P20248 9/20 0.63
▸ CCNK O75909 8/20 0.62
▸ CDK13 Q14004 8/20 0.62
▸ CDK12 Q9NYV4 8/20 0.62
▸ EGFR P00533 3/20 0.60
▸ MAPK8 P45983 3/20 0.55
▸ MAPK9 P45984 3/20 0.55
▸ MAPK10 P53779 3/20 0.55
▸ JUN P05412 2/20 0.55
▸ CDK3 Q00526 1/20 0.54

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
SCHEMBL16655096 1.00 CDK7 (0.63) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL16665617 1.00 CDK7 (0.63) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL21397539 1.00 CDK7 (0.63) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL16665627 1.00 CDK7 (0.63) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL21397370 0.95 EGFR (0.61) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL21397380 0.95 EGFR (0.61) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL16665757 0.94 CDK7 (0.59) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL16655319 0.94 CDK7 (0.59) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL16665758 0.94 CDK7 (0.59) CDK7CDK9CCNHCCNT1MNAT1
SCHEMBL16655318 0.94 CDK7 (0.59) CDK7CDK9CCNHCCNT1MNAT1

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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 — — 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 CDK7 1/4885CDK9 8/4885CCNH 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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