SCHEMBL21397555

SCHEMBL21397555

Cc1noc(Cc2nc(NC3CCN(Cc4ccc(NC(=O)CCCN(C)C)cc4)CC3)nc(-c3c[nH]c4ccccc34)c2Cl)c1-c1nc(NC2CCN(C(=O)c3ccc(N)cc3)CC2)ncc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.51
▸ CDK7 P50613 7/20 0.51
▸ CCNK O75909 6/20 0.51
▸ CDK9 P50750 6/20 0.51
▸ CCNH P51946 6/20 0.51
▸ CDK13 Q14004 6/20 0.51
▸ CDK12 Q9NYV4 6/20 0.51
▸ CCNT1 O60563 5/20 0.51
▸ CCNA2 P20248 4/20 0.51
▸ MAPK8 P45983 12/20 0.49
▸ MAPK9 P45984 12/20 0.49
▸ JUN P05412 11/20 0.49
▸ MNAT1 P51948 3/20 0.49
▸ CDK3 Q00526 1/20 0.49
▸ MAPK10 P53779 8/20 0.48

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
SCHEMBL18078644 0.83 CDK2 (0.68) CDK2CDK7CCNKCDK9CCNH
SCHEMBL20764176 0.75 MAPK8 (0.73) CDK2CDK7CCNKCDK9CCNH
SCHEMBL16655348 0.73 MAPK8 (0.71) CDK2CDK7CCNKCDK9CCNH
SCHEMBL16655282 0.73 CDK2 (0.69) CDK2CDK7CCNKCDK9CCNH
Hydrochloric Acid SCHEMBL16655078 0.72 CDK2 (0.68) CDK2CDK7CCNKCDK9CCNH
SCHEMBL18078677 0.72 MAPK8 (0.65) CDK2CDK7CCNKCDK9CCNH
SCHEMBL16655001 0.72 CDK7 (0.92) CDK2CDK7CCNKCDK9CCNH
SCHEMBL16655417 0.72 CDK7 (0.79) CDK2CDK7CCNKCDK9CCNH
SCHEMBL16655414 0.72 CDK7 (0.79) CDK2CDK7CCNKCDK9CCNH
SCHEMBL16654999 0.72 CDK7 (0.92) CDK2CDK7CCNKCDK9CCNH

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 CDK2 9/4885CDK7 1/4885CCNK 10/4885

“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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