SCHEMBL17150694

SCHEMBL17150694

O=C(OCc1ccccc1)N1CCC(NC[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 12/20 0.46
▸ MAPK9 P45984 12/20 0.46
▸ MAPK10 P53779 8/20 0.46
▸ CDK7 P50613 5/20 0.42
▸ CCNT1 O60563 3/20 0.42
▸ CDK9 P50750 3/20 0.42
▸ CCNH P51946 3/20 0.42
▸ MNAT1 P51948 3/20 0.42
▸ GRIN2B Q13224 2/20 0.39
▸ CDK2 P24941 12/20 0.39
▸ JUN P05412 11/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ CCNE1 P24864 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 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
SCHEMBL17150721 0.91 MAPK8 (0.44) MAPK8MAPK9MAPK10CDK7CCNT1
SCHEMBL19024575 0.91 MAPK8 (0.44) MAPK8MAPK9MAPK10CDK7CCNT1
SCHEMBL19040144 0.91 MAPK8 (0.44) MAPK8MAPK9MAPK10CDK7CCNT1
SCHEMBL19024556 0.89 MAPK8 (0.45) MAPK8MAPK9MAPK10CDK7CCNT1
SCHEMBL19040129 0.89 MAPK8 (0.45) MAPK8MAPK9MAPK10CDK7CCNT1
SCHEMBL20416166 0.87 CCNT1 (0.47) MAPK8MAPK9CDK7CCNT1CDK9
SCHEMBL17150666 0.87 MAPK8 (0.45) MAPK8MAPK9MAPK10CDK7CCNT1
SCHEMBL17140849 0.86 MAPK8 (0.49) MAPK8MAPK9MAPK10CDK7CCNT1
SCHEMBL17150610 0.86 MAPK8 (0.49) MAPK8MAPK9MAPK10CDK7CCNT1
SCHEMBL19024545 0.86 CDK7 (0.47) MAPK8MAPK9MAPK10CDK7CCNT1

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 8 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
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
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US disclosed
WO-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — 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 (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 MAPK8 193/4885MAPK9 142/4885MAPK10 388/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 MAPK8 193/4885MAPK9 142/4885MAPK10 388/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 MAPK8 193/4885MAPK9 142/4885MAPK10 388/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 MAPK8 193/4885MAPK9 142/4885MAPK10 388/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 MAPK8 193/4885MAPK9 142/4885MAPK10 388/4885

“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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