SCHEMBL19600357

SCHEMBL19600357

N[C@H]1CCC[C@@H](Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)C1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.70
▸ CDK9 P50750 4/20 0.70
▸ CCNT1 O60563 3/20 0.70
▸ CDK7 P50613 3/20 0.70
▸ CCNH P51946 2/20 0.70
▸ MNAT1 P51948 2/20 0.70
▸ CCNK O75909 1/20 0.70
▸ CCNE1 P24864 1/20 0.70
▸ CDK12 Q9NYV4 1/20 0.70
▸ IGF1R P08069 16/20 0.50
▸ KCNH2 Q12809 10/20 0.50
▸ CYP3A4 P08684 6/20 0.50
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CDK8 P49336 1/20 0.45

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
Hydrochloric Acid SCHEMBL18047331 0.99 CDK2 (0.69) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL16665139 0.89 CDK2 (0.72) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL18047321 0.85 CDK2 (0.66) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL18047322 0.85 CDK2 (0.66) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL28349414 0.84 CDK2 (0.62) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL28349411 0.84 CDK2 (0.62) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL17688415 0.83 CDK2 (0.71) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL24839350 0.83 CCNT1 (1.00) CDK2CDK9CCNT1CDK7CCNH
SCHEMBL17688389 0.82 CDK7 (0.67) CDK2CDK9CCNT1CDK7CCNH
Hydrochloric Acid SCHEMBL18047339 0.81 CDK7 (0.66) CDK2CDK9CCNT1CDK7CCNH

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
CN-105849099-B Polycyclic inhibitors of cyclin dependent kinase 7(CDK7) 达纳-法伯癌症研究所股份有限公司 2020-01-17 — — CN disclosed
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 CDK2 8/4885CDK9 3/4885CCNT1 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.

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