SCHEMBL18069809

SCHEMBL18069809

Cc1c(-c2nc(N[C@@H]3CCC[C@H](N)C3)ncc2Cl)c2ccccc2n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.48
▸ CCNT1 O60563 10/20 0.48
▸ CDK9 P50750 10/20 0.48
▸ CCNH P51946 9/20 0.48
▸ MNAT1 P51948 8/20 0.48
▸ CCNK O75909 8/20 0.46
▸ CDK12 Q9NYV4 8/20 0.46
▸ CCNE1 P24864 6/20 0.44
▸ CDK2 P24941 6/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ CRBN Q96SW2 1/20 0.41
▸ PTPN11 Q06124 3/20 0.40

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
SCHEMBL16665106 0.85 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19040097 0.81 CDK7 (0.72) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL20412342 0.81 CDK7 (0.72) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL18069808 0.81 CDK7 (0.44) CDK7CCNT1CDK9CCNHMNAT1
Trifluoromethanesulfonic Acid SCHEMBL18047297 0.80 CDK7 (0.42) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19600360 0.79 CDK7 (0.56) CDK7CCNT1CDK9CCNHMNAT1
Hydrochloric Acid SCHEMBL17688367 0.78 CDK7 (0.55) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17151970 0.77 CDK9 (0.52) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL18069810 0.77 CDK7 (0.53) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL18074083 0.76 CDK7 (0.42) 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 2 patents. 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
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 — — 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-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CCNT1 45/4885CDK9 16/4885
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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