SCHEMBL23508574

SCHEMBL23508574

Cc1ccc2[nH]c(CNc3nc(N4CCN(C)CC4)nc4c(Br)cnn34)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 15/20 0.42
CSNK1D P48730 14/20 0.42
CDK2 P24941 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CDK12 Q9NYV4 3/20 0.36
CDK4 P11802 2/20 0.36
CDK6 Q00534 2/20 0.36
CDK13 Q14004 2/20 0.36
CCNK O75909 2/20 0.36
CCND1 P24385 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK9 P50750 1/20 0.36
USP2 O75604 1/20 0.35
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL23508393 0.91 CSNK1E (0.41) CSNK1ECSNK1DCDK12CDK4CDK6
SCHEMBL23508213 0.90 CSNK1E (0.45) CSNK1ECSNK1DCDK2HRH4
SCHEMBL23508421 0.90 CSNK1D (0.48) CSNK1ECSNK1DCDK2CDK12CDK4
SCHEMBL23508567 0.90 CDK12 (0.44) CSNK1ECSNK1DCDK12CDK4CDK6
SCHEMBL23508458 0.89 CSNK1E (0.43) CSNK1ECSNK1DCDK2CDK12CDK4
SCHEMBL23508550 0.89 CSNK1D (0.49) CSNK1ECSNK1DCDK2CDK12CDK4
SCHEMBL23508263 0.88 CSNK1D (0.53) CSNK1ECSNK1DCDK2HRH4
SCHEMBL23508478 0.88 CSNK1E (0.42) CSNK1ECSNK1DCDK2USP2HRH4
SCHEMBL23508318 0.87 CSNK1E (0.53) CSNK1ECSNK1DCDK2CDK12CDK4
SCHEMBL25140221 0.87 CSNK1E (0.53) CSNK1ECSNK1DCDK2CDK12CDK4

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 963/4885CDK2 43/4885

“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.