SCHEMBL19600354

SCHEMBL19600354

N[C@H]1CCC[C@@H](Nc2ncc(F)c(C3=CCc4ccccc43)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 9/20 0.38
▸ CDK9 P50750 5/20 0.38
▸ CDK2 P24941 4/20 0.38
▸ CSNK1A1 P48729 2/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ PRKX P51817 1/20 0.38

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
SCHEMBL18069778 0.88 PTPN11 (0.43) CDK7CDK9CDK2CSNK1A1CDC7
SCHEMBL20412352 0.88 PTPN11 (0.43) CDK7CDK9CDK2CSNK1A1CDC7
SCHEMBL18069760 0.87 CDK7 (0.42) CDK7CDK9CDK2CSNK1A1CDC7
SCHEMBL18069796 0.80 MAPK1 (0.40) CDK7PIM1SYKKDM1A
SCHEMBL18069769 0.75 CDK7 (0.42) CDK7CDK9CDK2CSNK1A1CCNK
SCHEMBL18069791 0.75 CDK7 (0.48) CDK7CDK9CSNK1A1FLT3CCNK
SCHEMBL18069797 0.74 CDK7 (0.45) CDK7CDK9CDK2CCNKCDK12
SCHEMBL18069774 0.74 CDK7 (0.35) CDK7CDK9CDK2CSNK1A1CCNK
SCHEMBL18069757 0.74 MAPK3 (0.52) CDK7CDK9CDK2CCNKCDK12
SCHEMBL19600351 0.73 CDK9 (0.46) CDK7CDK9CDK2CSNK1A1CDC7

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 1/4885CDK9 3/4885CDK2 8/4885

“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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