SCHEMBL30259588

SCHEMBL30259588

c1cnc(NC2CCCNC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
CCNK O75909 12/20 0.49
CDK12 Q9NYV4 12/20 0.49
CCNT1 O60563 11/20 0.49
CDK9 P50750 11/20 0.49
CCNE1 P24864 10/20 0.49
CDK2 P24941 10/20 0.49
PRKCZ Q05513 1/20 0.49
MAPK1 P28482 1/20 0.49
IDH2 P48735 1/20 0.47
CDK7 P50613 7/20 0.46
CCNH P51946 6/20 0.46
MNAT1 P51948 5/20 0.46
MAPK10 P53779 1/20 0.45
CRBN Q96SW2 1/20 0.44
BRD4 O60885 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPB Q9Y5S2 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
SCHEMBL17961788 0.89 KDM4E (0.55) KDM4EGAACCNKCDK12CCNT1
SCHEMBL17961781 0.89 KDM4E (0.55) KDM4EGAACCNKCDK12CCNT1
SCHEMBL17961784 0.89 KDM4E (0.55) KDM4EGAACCNKCDK12CCNT1
Hydrochloric Acid SCHEMBL4112492 0.87 KDM4E (0.53) KDM4EGAACCNKCDK12CCNT1
SCHEMBL30259523 0.86 KDM4E (0.67) KDM4EGAACCNKCDK12CCNT1
SCHEMBL268925 0.81 CCNK (0.50) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL269583 0.81 CCNK (0.50) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL17961872 0.81 KDM4E (0.57) KDM4EGAAMAPK1
SCHEMBL4705576 0.80 IRAK4 (0.52) PRKCZCDK7CCNHMAPK10
SCHEMBL13524818 0.80 BRD4 (0.52) CCNKCDK12CCNT1CDK9CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 EP disclosed
US-20230063457-A1 DNA-PK INHIBITING COMPOUNDS PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2023-03-02 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 (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-20230063457-A1 DNA-PK INHIBITING COMPOUNDS DCK, POLK, ERCC2 KDM4E 760/4885GAA 484/4885CCNK 88/4885

“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.