SCHEMBL19024465

SCHEMBL19024465

N#Cc1cnc(N[C@@H]2CCCC(NC(=O)O)C2)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.43
▸ CDK7 P50613 5/20 0.42
▸ CCNH P51946 3/20 0.42
▸ MNAT1 P51948 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ DRD2 P14416 4/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ HTR7 P34969 3/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ HTR1A P08908 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCNA1 P78396 1/20 0.37

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
SCHEMBL19024462 1.00 HTR6 (0.43) HTR6CDK7CCNHMNAT1CDK2
SCHEMBL16654783 0.90 CDK7 (0.53) HTR6CDK7CCNHMNAT1CDK2
SCHEMBL17150622 0.90 HTR6 (0.42) HTR6CDK7CCNHMNAT1CDK2
SCHEMBL17150585 0.89 CDK7 (0.43) HTR6CDK7CCNHMNAT1CDK2
SCHEMBL19024538 0.89 CDK7 (0.43) HTR6CDK7CCNHMNAT1CDK2
SCHEMBL19024599 0.89 CDK7 (0.44) HTR6CDK7CCNHMNAT1CDK2
Hydrochloric Acid SCHEMBL19024700 0.88 CDK7 (0.43) HTR6CDK7CCNHMNAT1CDK2
SCHEMBL16654985 0.88 CDK7 (0.52) HTR6CDK7CCNHMNAT1CDK2
SCHEMBL18047299 0.88 HTR6 (0.45) HTR6CDK7CCNHMNAT1CDK2
SCHEMBL18047285 0.88 CDK7 (0.51) HTR6CDK7CCNHMNAT1DRD2

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-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 — — EP disclosed
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-11-08 — — US disclosed
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-10-23 — — US disclosed
EP-3126352-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2018-10-17 — — EP disclosed
US-10059690-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-08-28 — — US disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US 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 (5 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-10059690-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNH 31/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNH 31/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNH 31/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNH 31/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNH 31/4885

“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.

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