SCHEMBL18074072

SCHEMBL18074072

CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CCC(Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 16/20 0.49
CCNH P51946 9/20 0.48
CCNT1 O60563 8/20 0.48
CDK9 P50750 8/20 0.48
MNAT1 P51948 6/20 0.48
CCNK O75909 4/20 0.48
CDK12 Q9NYV4 4/20 0.48
HTR6 P50406 3/20 0.41
EGFR P00533 1/20 0.40
CDK2 P24941 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK13 Q14004 2/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL21397489 1.00 CDK7 (0.49) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL16665647 1.00 CDK7 (0.49) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL21397206 1.00 CDK7 (0.49) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL16655066 0.97 CDK7 (0.53) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL16655068 0.97 CDK7 (0.53) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL17688365 0.93 CDK7 (0.50) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL17688419 0.92 CDK7 (0.42) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL16665578 0.91 HTR6 (0.46) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL18074045 0.91 HTR6 (0.46) CDK7CCNHCCNT1CDK9MNAT1
SCHEMBL17688363 0.90 CDK7 (0.43) CDK7CCNHCCNT1CDK9MNAT1

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 32/4885CCNT1 33/4885

“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.