SCHEMBL18074045

SCHEMBL18074045

CC(C)(C)OC(=O)N[C@@H]1CCC(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.46
CDK7 P50613 5/20 0.45
CCNT1 O60563 3/20 0.45
CDK9 P50750 3/20 0.45
CCNH P51946 3/20 0.45
MNAT1 P51948 3/20 0.45
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
EGFR P00533 9/20 0.41
BTK Q06187 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL16665578 1.00 HTR6 (0.46) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL20412340 0.97 CDK7 (0.47) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL16665090 0.97 CDK7 (0.47) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL17150681 0.95 HTR6 (0.47) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL19040137 0.95 HTR6 (0.47) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL17140876 0.95 HTR6 (0.47) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL16665766 0.92 HTR6 (0.45) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL18047391 0.92 HTR6 (0.45) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL21397206 0.91 CDK7 (0.49) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL21397489 0.91 CDK7 (0.49) HTR6CDK7CCNT1CDK9CCNH

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 HTR6 2975/4885CDK7 1/4885CCNT1 28/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 HTR6 3045/4885CDK7 1/4885CCNT1 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.