SCHEMBL23508334

SCHEMBL23508334

Cc1cc2nc(CNc3nc(N4CC5CCC(C4)N5)nc4c(Br)cnn34)[nH]c2cc1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
PSMD14 O00487 1/20 0.33
MMP2 P08253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CDK12 Q9NYV4 3/20 0.33
CCNK O75909 2/20 0.33
CSNK1E P49674 5/20 0.33
CSNK1D P48730 4/20 0.33
CDK9 P50750 3/20 0.33
CDK4 P11802 2/20 0.33
CDK6 Q00534 2/20 0.33
CDK13 Q14004 2/20 0.33
CCND1 P24385 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK2 P24941 2/20 0.30

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
SCHEMBL23508626 0.90 CDK12 (0.41) CDK12CCNKCSNK1ECSNK1DCDK9
SCHEMBL23508494 0.90 CSNK1E (0.40) CDK12CCNKCSNK1ECSNK1DCDK9
SCHEMBL23508625 0.89 MEN1 (0.33) MEN1PSMD14MMP2MAPTKMT2A
SCHEMBL23508333 0.87 CDK12 (0.36) CDK12CCNKCSNK1ECSNK1DCDK9
SCHEMBL25140223 0.86 CSNK1D (0.38) MAPTCSNK1ECSNK1DGSK3B
SCHEMBL23508458 0.85 CSNK1E (0.43) MEN1PSMD14MMP2MAPTKMT2A
SCHEMBL23508338 0.84 IDO1 (0.31) CSNK1E
SCHEMBL23508470 0.84 CDK12 (0.47) CDK12CCNKCSNK1ECSNK1DCDK9
SCHEMBL23508634 0.82 CSNK1D (0.41) MAPTKMT2ACSNK1ECSNK1D
SCHEMBL23508389 0.82 PDE10A (0.31)

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 MEN1 172/4885PSMD14 3143/4885MMP2 4446/4885

“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.