SCHEMBL23508266

SCHEMBL23508266

Cc1ccnc2[nH]c(CNc3nc(N4CCOCC4)nc4c(Br)cnn34)nc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 19/20 0.40
CSNK1D P48730 18/20 0.40
CDK12 Q9NYV4 4/20 0.40
CDK13 Q14004 3/20 0.40
CCNK O75909 2/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CDK9 P50750 1/20 0.37
CDK6 Q00534 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
SCHEMBL30013666 0.88 CDK2 (0.40) CSNK1ECSNK1DCDK12CDK13CCNK
SCHEMBL23497822 0.88 CDK2 (0.40) CSNK1ECSNK1DCDK12CDK13CCNK
SCHEMBL29788804 0.86 CSNK1E (0.46) CSNK1ECSNK1DCDK12CDK13CDK4
SCHEMBL23497496 0.86 CSNK1E (0.46) CSNK1ECSNK1DCDK12CDK13CDK4
SCHEMBL23497781 0.81 CSNK1E (0.48) CSNK1ECSNK1DCDK12CDK13CCNK
SCHEMBL30012915 0.81 CSNK1E (0.48) CSNK1ECSNK1DCDK12CDK13CCNK
SCHEMBL23508470 0.81 CDK12 (0.47) CSNK1ECSNK1DCDK12CDK13CCNK
SCHEMBL23508061 0.80 GSK3B (0.38) GSK3B
SCHEMBL30013305 0.80 CSNK1E (0.42) CSNK1ECSNK1DCDK12CDK13CCNK
SCHEMBL23508567 0.79 CDK12 (0.44) CSNK1ECSNK1DCDK12CDK13CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4073072-A1 PYRAZOLOTRIAZINES Bayer Aktiengesellschaft (DE) 2022-10-19 EP claimed
CN-115023427-A Pyrazolotriazines 拜耳公司 2022-09-06 CN claimed
US-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 US disclosed
EP-4073072-A1 PYRAZOLOTRIAZINES Bayer Aktiengesellschaft (DE) 2022-10-19 EP 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.