SCHEMBL16665142

SCHEMBL16665142

O=C(N[C@H]1CCC[C@@H](Nc2ncc(C3CC3)c(-c3c[nH]c4ccccc34)n2)C1)c1ccc(NCl)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 19/20 0.83
▸ CCNH P51946 10/20 0.61
▸ CCNK O75909 7/20 0.61
▸ CDK12 Q9NYV4 7/20 0.61
▸ CCNT1 O60563 7/20 0.61
▸ CDK9 P50750 7/20 0.61
▸ MNAT1 P51948 6/20 0.61
▸ CDK13 Q14004 1/20 0.49
▸ CDK2 P24941 3/20 0.47
▸ CCNE1 P24864 2/20 0.47
▸ CRBN Q96SW2 1/20 0.47
▸ JUN P05412 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47

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
SCHEMBL16654912 0.92 CDK7 (0.83) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL16654908 0.92 CDK7 (0.83) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL17688383 0.91 CDK7 (1.00) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL22778394 0.91 CDK7 (1.00) CDK7CCNHCCNKCDK12CCNT1
Hydrochloric Acid SCHEMBL16655187 0.90 CDK7 (0.98) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL16665127 0.90 CDK7 (0.70) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL18072740 0.89 CDK7 (0.77) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL18047348 0.87 CDK7 (0.74) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL16665185 0.87 CDK7 (0.74) CDK7CCNHCCNKCDK12CCNT1
SCHEMBL16665150 0.84 CDK7 (0.84) CDK7CCNHCCNKCDK12CCNT1

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 4 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
WO-2016058544-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2016-04-21 — — WO disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 — — WO 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 4/4885CCNH 42/4885CCNK 19/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 32/4885CCNK 6/4885

“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.

Send feedback