SCHEMBL18072597

SCHEMBL18072597

O=C(N[C@H]1CCC[C@@H](Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)C1)c1ccc(NCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.59
▸ CDK2 P24941 7/20 0.59
▸ CDK9 P50750 4/20 0.59
▸ CCNT1 O60563 3/20 0.59
▸ CCNK O75909 2/20 0.59
▸ CCNH P51946 2/20 0.59
▸ MNAT1 P51948 2/20 0.59
▸ CDK12 Q9NYV4 2/20 0.59
▸ CCNE1 P24864 1/20 0.59
▸ IGF1R P08069 9/20 0.47
▸ KCNH2 Q12809 5/20 0.46
▸ CYP3A4 P08684 3/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44

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
SCHEMBL28346052 0.92 CDK7 (0.58) CDK7CDK2CDK9CCNT1CCNK
SCHEMBL17688389 0.91 CDK7 (0.67) CDK7CDK2CDK9CCNT1CCNK
Hydrochloric Acid SCHEMBL18047339 0.91 CDK7 (0.66) CDK7CDK2CDK9CCNT1CCNK
SCHEMBL18047300 0.90 EGFR (0.56) CDK7CDK2CDK9CCNT1CCNK
SCHEMBL16665166 0.88 CDK7 (0.53) CDK7CDK2CDK9CCNT1CCNK
SCHEMBL18047325 0.88 CDK7 (0.53) CDK7CDK2CDK9CCNT1CCNK
SCHEMBL18047321 0.87 CDK2 (0.66) CDK7CDK2CDK9CCNT1CCNK
SCHEMBL18047322 0.87 CDK2 (0.66) CDK7CDK2CDK9CCNT1CCNK
SCHEMBL16665139 0.84 CDK2 (0.72) CDK7CDK2CDK9CCNT1CCNK
SCHEMBL18072739 0.83 CCNK (0.56) CDK7CDK2CDK9CCNT1CCNK

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 4/4885CDK2 10/4885CDK9 16/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CDK2 8/4885CDK9 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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