SCHEMBL16665183

SCHEMBL16665183

ClN[C@H]1CCC[C@@H](Nc2ncc(Cl)c(-c3cccnc3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 8/20 0.46
CDK9 P50750 7/20 0.46
CCNT1 O60563 7/20 0.46
CCNE1 P24864 6/20 0.46
CDK2 P24941 6/20 0.46
CCNK O75909 6/20 0.46
CDK12 Q9NYV4 6/20 0.46
CCNH P51946 4/20 0.43
MNAT1 P51948 3/20 0.43
ADORA1 P30542 1/20 0.43
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
BRAF P15056 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CRBN Q96SW2 1/20 0.40
GBA1 P04062 2/20 0.39
CCNB2 O95067 1/20 0.39

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
SCHEMBL18069763 0.88 PIM1 (0.49) CDK7CDK9CCNT1CCNE1CDK2
Hydrochloric Acid SCHEMBL18047351 0.87 PIM1 (0.48) CDK7CDK9CCNT1CCNE1CDK2
SCHEMBL16653686 0.86 CDK7 (0.47) CDK7CDK9CCNT1CCNE1CDK2
SCHEMBL16653683 0.86 CDK7 (0.47) CDK7CDK9CCNT1CCNE1CDK2
SCHEMBL21397211 0.83 CCNT1 (0.49) CDK7CDK9CCNT1CCNE1CDK2
SCHEMBL16665655 0.83 CCNT1 (0.49) CDK7CDK9CCNT1CCNE1CDK2
SCHEMBL28349718 0.81 CDK7 (0.43) CDK7CDK9CCNT1CCNE1CDK2
SCHEMBL28349716 0.81 CDK7 (0.43) CDK7CDK9CCNT1CCNE1CDK2
SCHEMBL16665140 0.81 CDK7 (0.43) CDK7CDK9CCNT1CCNE1CDK2
SCHEMBL16665126 0.81 CDK7 (0.65) CDK7CDK9CCNT1CCNKCDK12

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 4/4885CDK9 16/4885CCNT1 45/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CDK9 3/4885CCNT1 33/4885

“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.