SCHEMBL19040097

SCHEMBL19040097

N[C@H]1CCC[C@@H](Nc2ncc(Cl)c(-c3cn(-c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.72
▸ CDK9 P50750 11/20 0.72
▸ CCNT1 O60563 10/20 0.72
▸ CCNH P51946 8/20 0.72
▸ MNAT1 P51948 6/20 0.72
▸ CDK2 P24941 8/20 0.52
▸ CCNE1 P24864 6/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.45
▸ CCNK O75909 7/20 0.45
▸ CDK12 Q9NYV4 7/20 0.45
▸ CRBN Q96SW2 1/20 0.44
▸ CCNA2 P20248 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ CSNK1A1 P48729 2/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKD3 O94806 1/20 0.41

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
SCHEMBL20412342 1.00 CDK7 (0.72) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL18074092 0.94 CDK7 (0.69) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL19040179 0.89 CDK7 (0.72) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL19040155 0.89 CDK9 (0.57) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL19040152 0.88 CCNT1 (0.56) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL19040114 0.87 CDK7 (0.60) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL19600360 0.87 CDK7 (0.56) CDK7CDK9CCNT1CCNHMNAT1
Hydrochloric Acid SCHEMBL17688367 0.86 CDK7 (0.55) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL20412341 0.85 CDK7 (0.53) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL17150628 0.85 CDK7 (0.53) CDK7CDK9CCNT1CCNHMNAT1

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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — 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 (2 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CDK9 3/4885CCNT1 34/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CDK9 3/4885CCNT1 34/4885

“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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