SCHEMBL18047405

SCHEMBL18047405

CN(C)CC=CC(=O)Nc1ccc(C(=O)NCC(C)(C)CNc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 19/20 0.58
▸ CCNH P51946 19/20 0.58
▸ CDK9 P50750 8/20 0.49
▸ CCNK O75909 7/20 0.49
▸ CDK12 Q9NYV4 7/20 0.49
▸ CCNT1 O60563 6/20 0.49
▸ MNAT1 P51948 6/20 0.49
▸ CDK13 Q14004 6/20 0.49
▸ CDK2 P24941 5/20 0.49
▸ CCNA2 P20248 4/20 0.49
▸ CDK5 Q00535 3/20 0.49
▸ CDK5R1 Q15078 2/20 0.49
▸ MAP3K11 Q16584 2/20 0.49
▸ CDK1 P06493 2/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ MAPK9 P45984 1/20 0.49
▸ CDK3 Q00526 1/20 0.44
▸ CDK8 P49336 1/20 0.44

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
SCHEMBL18047404 1.00 CDK7 (0.58) CDK7CCNHCDK9CCNKCDK12
SCHEMBL16655292 0.93 CDK7 (0.48) CDK7CCNHCDK9CCNKCDK12
SCHEMBL16655060 0.87 CDK7 (0.41) CDK7CCNH
SCHEMBL18078643 0.82 CDK7 (0.76) CDK7CCNHCDK9CCNKCDK12
SCHEMBL16655057 0.81 CCNK (0.65) CDK7CCNHCDK9CCNKCDK12
SCHEMBL16655058 0.81 CCNK (0.65) CDK7CCNHCDK9CCNKCDK12
SCHEMBL29174624 0.81 CDK7 (0.58) CDK7CCNHCDK9CCNKCDK12
SCHEMBL19024448 0.80 CDK7 (0.70) CDK7CCNHCDK9CCNKCDK12
SCHEMBL17150571 0.80 CDK7 (0.70) CDK7CCNHCDK9CCNKCDK12
SCHEMBL15648063 0.80 CDK5 (0.72) CDK7CCNHCDK9CCNKCDK12

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

“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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