SCHEMBL16665665

SCHEMBL16665665

Cc1noc(C)c1-c1nc(Cl)ncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.40
BRD2 P25440 2/20 0.40
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CYP1A2 P05177 6/20 0.38
CYP3A4 P08684 4/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD3 Q15059 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1030031 0.84 ABL1 (0.44) BRD4BRD2ABL1BCRCYP1A2
SCHEMBL24054077 0.84 BRD4 (0.38) BRD4BRD2CYP1A2CYP3A4HSD17B10
SCHEMBL30166385 0.84 BRD4 (0.38) BRD4BRD2CYP1A2CYP3A4HSD17B10
SCHEMBL23336389 0.81 BRD4 (0.45) BRD4BRD2CYP1A2CYP3A4HSD17B10
SCHEMBL16665651 0.71 CDK7 (0.45) CYP1A2CYP3A4HSD17B10ALOX15CYP2C9
SCHEMBL21397410 0.71 CDK7 (0.45) CYP1A2CYP3A4HSD17B10ALOX15CYP2C9
SCHEMBL18985762 0.70 CYP1A2 (0.48) BRD4BRD2CYP1A2CYP3A4HSD17B10
SCHEMBL30037575 0.69 BTK (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL25552093 0.69 BTK (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL17059209 0.69 KDM5B (0.38) BRD4BRD2BRD3KDM5BALDH1A1

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
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 EP disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, 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 (1 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-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 BRD4 1070/4885BRD2 2787/4885ABL1 1377/4885

“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.