SCHEMBL23508322

SCHEMBL23508322

Fc1cc2nc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]c2cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 7/20 0.51
CCNK O75909 4/20 0.51
CSNK1E P49674 16/20 0.49
CSNK1D P48730 13/20 0.49
CDK13 Q14004 4/20 0.49
CDK4 P11802 2/20 0.49
CDK6 Q00534 2/20 0.49
CCND1 P24385 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK9 P50750 1/20 0.49
NR2F2 P24468 1/20 0.39

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
SCHEMBL23508324 0.93 CSNK1E (0.56) CDK12CCNKCSNK1ECSNK1DCDK13
SCHEMBL23508317 0.93 CDK12 (0.57) CDK12CCNKCSNK1ECSNK1DCDK13
SCHEMBL23508403 0.90 CSNK1E (0.47) CDK12CCNKCSNK1ECSNK1DCDK13
SCHEMBL23508440 0.88 CDK12 (0.49) CDK12CCNKCSNK1ECSNK1DCDK13
SCHEMBL23497497 0.86 CSNK1E (0.46) CDK12CCNKCSNK1ECSNK1DCDK13
SCHEMBL30013324 0.86 CSNK1E (0.46) CDK12CCNKCSNK1ECSNK1DCDK13
SCHEMBL23508237 0.86 CSNK1E (0.48) CDK12CCNKCSNK1ECSNK1DCDK13
SCHEMBL23508470 0.86 CDK12 (0.47) CDK12CCNKCSNK1ECSNK1DCDK13
SCHEMBL23508333 0.85 CDK12 (0.36) CDK12CCNKCSNK1ECSNK1DCDK13
SCHEMBL23508469 0.83 CSNK1E (0.50) CDK12CSNK1ECSNK1DCDK13CDK4

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
US-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 US disclosed
WO-2021116178-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-17 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 (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-20230117034-A1 PYRAZOLOTRIAZINES BRCA1, TPX2, CCND2 CDK12 132/4885CCNK 87/4885CSNK1E 1596/4885

“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.