SCHEMBL16665199

SCHEMBL16665199

O=S(=O)(c1ccccc1)n1cc(-c2nc(NC3CCCCC3)ncc2Cl)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 8/20 0.58
CDK9 P50750 8/20 0.58
CCNT1 O60563 7/20 0.58
CCNH P51946 5/20 0.58
MNAT1 P51948 4/20 0.58
CCNE1 P24864 5/20 0.53
CDK2 P24941 5/20 0.53
CCNK O75909 4/20 0.45
CDK12 Q9NYV4 4/20 0.45
HTR6 P50406 7/20 0.45
DRD2 P14416 4/20 0.45
HTR2A P28223 3/20 0.45
HTR7 P34969 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CRBN Q96SW2 1/20 0.44
EGFR P00533 1/20 0.44
HTR1A P08908 1/20 0.43
ADORA1 P30542 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43

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
SCHEMBL16665131 0.91 CDK7 (0.55) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL17150588 0.91 CDK7 (0.52) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL17140747 0.91 CDK7 (0.52) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL16655358 0.91 CCNT1 (0.59) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL29994336 0.91 CCNT1 (0.59) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL19040138 0.91 CDK7 (0.52) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL16664896 0.90 CCNT1 (0.74) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL20412341 0.90 CDK7 (0.53) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL30886754 0.90 CCNT1 (0.74) CDK7CDK9CCNT1CCNHMNAT1
SCHEMBL17150628 0.90 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 EP disclosed
US-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-06-04 US disclosed
EP-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 US 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 (4 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-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CDK9 3/4885CCNT1 33/4885
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
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.