SCHEMBL17150758

SCHEMBL17150758

C[C@]1(NC(=O)OCc2ccccc2)CCC[C@@H](Nc2ncc(Cl)c(-c3nnc4ccccn34)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 8/20 0.42
▸ MAPK9 P45984 8/20 0.42
▸ CDK2 P24941 6/20 0.42
▸ JUN P05412 5/20 0.42
▸ CDK7 P50613 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ CCNH P51946 1/20 0.41
▸ MNAT1 P51948 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ MAPK10 P53779 5/20 0.38
▸ MAPK1 P28482 4/20 0.36
▸ TSHR P16473 1/20 0.35
▸ FSHR P23945 1/20 0.35
▸ IGF1R P08069 5/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ INSR P06213 1/20 0.35

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
SCHEMBL19024482 0.90 CDK2 (0.45) MAPK8MAPK9CDK2JUNCDK7
SCHEMBL19024480 0.90 CDK2 (0.45) MAPK8MAPK9CDK2JUNCDK7
SCHEMBL20994622 0.83 CDK2 (0.44) MAPK8MAPK9CDK2JUNCDK7
SCHEMBL20994621 0.83 CDK2 (0.44) MAPK8MAPK9CDK2JUNCDK7
SCHEMBL19040166 0.81 CDK2 (0.43) MAPK8MAPK9CDK2JUNCDK7
SCHEMBL19040174 0.80 CDK2 (0.42) MAPK8MAPK9CDK2JUNCDK7
SCHEMBL18069839 0.80 CDK2 (0.42) MAPK8MAPK9CDK2JUNCDK7
SCHEMBL17150760 0.79 CDK2 (0.42) MAPK8MAPK9CDK2JUNCDK7
SCHEMBL19040164 0.79 CDK7 (0.56) MAPK8MAPK9CDK2JUNCDK7
SCHEMBL19054715 0.79 CDK2 (0.41) MAPK8MAPK9CDK2JUNCDK7

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 6 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — 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 (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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 MAPK8 193/4885MAPK9 142/4885CDK2 7/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 MAPK8 193/4885MAPK9 142/4885CDK2 7/4885

“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.

Send feedback