SCHEMBL16655358

SCHEMBL16655358

O=S(=O)(c1ccccc1)n1cc(-c2nc(NC3CCNCC3)ncc2Cl)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.59
CDK7 P50613 6/20 0.59
CDK9 P50750 6/20 0.59
CCNH P51946 5/20 0.59
MNAT1 P51948 4/20 0.59
CCNE1 P24864 4/20 0.53
CDK2 P24941 4/20 0.53
HTR6 P50406 12/20 0.49
CCNK O75909 3/20 0.46
CDK12 Q9NYV4 3/20 0.46
DRD2 P14416 4/20 0.46
HTR2A P28223 3/20 0.46
HTR7 P34969 3/20 0.46
CRBN Q96SW2 1/20 0.45
HTR1A P08908 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
EGFR P00533 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
SCHEMBL29994336 1.00 CCNT1 (0.59) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL16655089 0.95 CCNT1 (0.66) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL16665576 0.95 CCNT1 (0.66) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL16655092 0.95 CCNT1 (0.66) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL16665199 0.91 CDK7 (0.58) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL28862200 0.91 HTR6 (0.54) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL16664896 0.90 CCNT1 (0.74) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL30886754 0.90 CCNT1 (0.74) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL29394684 0.90 CCNT1 (0.74) CCNT1CDK7CDK9CCNHMNAT1
SCHEMBL16655161 0.90 CCNT1 (0.74) CCNT1CDK7CDK9CCNHMNAT1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276382-B Cyclin-dependent kinase inhibitor and application thereof 南京圣和药物研发有限公司 2022-10-18 CN disclosed
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 US disclosed
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 US 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
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
EP-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 WO 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 (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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 CCNT1 28/4885CDK7 1/4885CDK9 8/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 CCNT1 33/4885CDK7 1/4885CDK9 12/4885

“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.