SCHEMBL23508324

SCHEMBL23508324

Fc1cc2nc(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)[nH]c2cc1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 16/20 0.56
CSNK1D P48730 15/20 0.53
CDK12 Q9NYV4 7/20 0.46
CCNK O75909 4/20 0.46
CDK13 Q14004 4/20 0.45
CDK4 P11802 2/20 0.45
CDK6 Q00534 2/20 0.45
CCND1 P24385 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK9 P50750 1/20 0.45
NR2F2 P24468 1/20 0.41

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
SCHEMBL23508322 0.93 CDK12 (0.51) CSNK1ECSNK1DCDK12CCNKCDK13
SCHEMBL23497497 0.90 CSNK1E (0.46) CSNK1ECSNK1DCDK12CCNKCDK13
SCHEMBL30013324 0.90 CSNK1E (0.46) CSNK1ECSNK1DCDK12CCNKCDK13
SCHEMBL23508317 0.89 CDK12 (0.57) CSNK1ECSNK1DCDK12CCNKCDK13
SCHEMBL25140221 0.89 CSNK1E (0.53) CSNK1ECSNK1DCDK12CCNKCDK13
SCHEMBL23508470 0.89 CDK12 (0.47) CSNK1ECSNK1DCDK12CCNKCDK13
SCHEMBL23508466 0.88 CSNK1E (0.54) CSNK1ECSNK1DCDK12CCNKCDK13
SCHEMBL25140209 0.87 CSNK1E (0.54) CSNK1ECSNK1DCDK12CCNKCDK13
SCHEMBL23508237 0.86 CSNK1E (0.48) CSNK1ECSNK1DCDK12CCNKCDK13
SCHEMBL23508567 0.86 CDK12 (0.44) CSNK1ECSNK1DCDK12CCNKCDK13

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 CSNK1E 1596/4885CSNK1D 963/4885CDK12 132/4885

“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.