SCHEMBL19605646

SCHEMBL19605646

Cn1cc(-c2nc(N[C@@H]3CCC[C@H](NCl)C3)ncc2Cl)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.56
▸ CCNT1 O60563 12/20 0.56
▸ CDK9 P50750 12/20 0.56
▸ CCNH P51946 11/20 0.56
▸ MNAT1 P51948 10/20 0.56
▸ CDK2 P24941 9/20 0.56
▸ CCNE1 P24864 8/20 0.56
▸ CCNK O75909 11/20 0.50
▸ CDK12 Q9NYV4 11/20 0.50
▸ EGFR P00533 1/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ JUN P05412 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43

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
SCHEMBL19600360 0.90 CDK7 (0.56) CDK7CCNT1CDK9CCNHMNAT1
Hydrochloric Acid SCHEMBL17688367 0.89 CDK7 (0.55) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19580261 0.88 CDK7 (0.53) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19580260 0.88 CDK7 (0.53) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17688369 0.84 CDK7 (0.49) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16665131 0.84 CDK7 (0.55) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL6039728 0.83 CDK2 (0.61) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17696392 0.83 CDK7 (0.70) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20412349 0.83 CDK7 (0.48) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20412351 0.83 CDK7 (0.49) CDK7CCNT1CDK9CCNHMNAT1

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-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — 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-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNT1 33/4885CDK9 3/4885

“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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