SCHEMBL21397411

SCHEMBL21397411

Cc1noc(C)c1-c1nc(NC2CCC(N(C)C(=O)OC(C)(C)C)C2)ncc1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 15/20 0.37
MAPK3 P27361 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
MAPK8 P45983 4/20 0.35
MAPK9 P45984 3/20 0.35
JUN P05412 2/20 0.35
CDK2 P24941 2/20 0.35
MAPK10 P53779 2/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL16665652 0.84 BTK (0.41) MAPK1MAPK8MAPK9MAPK10MAPK14
SCHEMBL21397349 0.84 BTK (0.41) MAPK1MAPK8MAPK9MAPK10MAPK14
SCHEMBL21397371 0.80 MAPK1 (0.42) MAPK1MAPK3GPR119MAPK8MAPK9
SCHEMBL21397410 0.76 CDK7 (0.45)
SCHEMBL16665651 0.76 CDK7 (0.45)
SCHEMBL21549476 0.72 CDK7 (0.48) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL16665668 0.72 CDK12 (0.53) MAPK8MAPK9CDK2
SCHEMBL20416064 0.72 CDK7 (0.42) MAPK8MAPK9JUNCDK2MAPK10
SCHEMBL18047393 0.68 CDK7 (0.66) MAPK8MAPK9CDK2
SCHEMBL18047439 0.68 CDK7 (0.66) MAPK8MAPK9CDK2

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 MAPK1 538/4885MAPK3 537/4885GPR119 1984/4885

“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.