SCHEMBL20764177

SCHEMBL20764177

Nc1ccc(C(=O)NC2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.85
▸ MAPK8 P45983 10/20 0.64
▸ MAPK9 P45984 10/20 0.64
▸ JUN P05412 9/20 0.64
▸ CDK2 P24941 9/20 0.64
▸ MAPK10 P53779 6/20 0.64
▸ CCNK O75909 1/20 0.60
▸ CCNH P51946 1/20 0.60
▸ MNAT1 P51948 1/20 0.60
▸ CDK12 Q9NYV4 1/20 0.60

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
SCHEMBL16665165 0.92 CDK7 (1.00) CDK7MAPK8MAPK9JUNCDK2
SCHEMBL16665084 0.92 CDK7 (1.00) CDK7MAPK8MAPK9JUNCDK2
SCHEMBL22778392 0.92 CDK7 (1.00) CDK7MAPK8MAPK9JUNCDK2
SCHEMBL23289869 0.91 CDK7 (0.71) CDK7MAPK8MAPK9JUNCDK2
SCHEMBL17688423 0.91 CDK7 (0.71) CDK7MAPK8MAPK9JUNCDK2
SCHEMBL16655427 0.91 CDK7 (0.78) CDK7MAPK8MAPK9JUNCDK2
SCHEMBL17688417 0.90 CDK7 (0.87) CDK7MAPK8MAPK9JUNCDK2
SCHEMBL17696266 0.90 CDK7 (0.87) CDK7MAPK8MAPK9JUNCDK2
SCHEMBL16665088 0.90 CDK7 (0.87) CDK7MAPK8MAPK9JUNCDK2
SCHEMBL17696258 0.90 CDK7 (0.87) CDK7MAPK8MAPK9JUNCDK2

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
WO-2019035866-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2019-02-21 — — 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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 CDK7 1/4885MAPK8 352/4885MAPK9 506/4885

“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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