SCHEMBL16665652

SCHEMBL16665652

Cc1noc(C)c1-c1nc(N[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)ncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.41
MAPK1 P28482 2/20 0.39
CDK7 P50613 4/20 0.38
MAPK8 P45983 2/20 0.37
MAPK14 Q16539 1/20 0.37
BRD4 O60885 3/20 0.37
MERTK Q12866 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
ACACB O00763 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
CDK9 P50750 1/20 0.35
SYK P43405 1/20 0.35
JAK1 P23458 2/20 0.35

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
SCHEMBL21397349 1.00 BTK (0.41) BTKMAPK1CDK7MAPK8MAPK14
SCHEMBL21397411 0.84 MAPK1 (0.37) MAPK1MAPK8MAPK14MAPK9MAPK10
SCHEMBL21397323 0.82 BTK (0.43) BTKMAPK1CDK7MAPK8MAPK9
SCHEMBL16665607 0.82 BTK (0.43) BTKMAPK1CDK7MAPK8MAPK9
SCHEMBL16665663 0.79 BTK (0.47) BTKMAPK1CDK7MAPK8MAPK9
SCHEMBL18074058 0.79 BTK (0.47) BTKMAPK1CDK7MAPK8MAPK9
SCHEMBL21397410 0.78 CDK7 (0.45) CDK7CDK9
SCHEMBL16665651 0.78 CDK7 (0.45) CDK7CDK9
SCHEMBL22759954 0.78 MAPK1 (0.40) BTKMAPK1CDK7MAPK8MERTK
SCHEMBL21265827 0.78 MAPK1 (0.40) BTKMAPK1CDK7MAPK8MERTK

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 3 patents. 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
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 WO 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 BTK 3238/4885MAPK1 521/4885CDK7 1/4885

“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.