SCHEMBL23508261

SCHEMBL23508261

COc1ccc2[nH]c(CNc3nc(N4C[C@@H]5CCCN[C@@H]5C4)nc4c(Br)cnn34)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.37
CSNK1D P48730 4/20 0.36
CSNK1E P49674 4/20 0.36
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 1/20 0.33
ROCK1 Q13464 1/20 0.32
CDK4 P11802 1/20 0.31
CDK6 Q00534 1/20 0.31
CDK13 Q14004 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
CDK2 P24941 2/20 0.31
CDK9 P50750 2/20 0.31
HRH4 Q9H3N8 4/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE9A O76083 2/20 0.30
ZAP70 P43403 1/20 0.30
KARS1 Q15046 1/20 0.30
GSK3B P49841 1/20 0.30
CHRNB2 P17787 2/20 0.30
CHRNB4 P30926 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
SCHEMBL23508487 0.90 HTR3A (0.39) HTR3ACDK2CDK9HRH4GSK3B
SCHEMBL23508558 0.87 CSNK1D (0.37) HTR3ACSNK1DCSNK1EKLK1KLK5
SCHEMBL23508456 0.87 CSNK1D (0.37) HTR3ACSNK1DCSNK1EKLK1KLK5
SCHEMBL23508399 0.86 CSNK1E (0.37) CSNK1DCSNK1EKLK1KLK5CDK4
SCHEMBL23508547 0.85 PIK3CA (0.40) CSNK1DCSNK1EKLK1KLK5CDK4
SCHEMBL23508530 0.82 CSNK1D (0.38) HTR3ACSNK1DCSNK1EKLK1KLK5
SCHEMBL23508550 0.82 CSNK1D (0.49) CSNK1DCSNK1ECDK4CDK6CDK13
SCHEMBL23508232 0.82 CSNK1E (0.50) CSNK1DCSNK1ECDK4CDK6CDK13
SCHEMBL23508560 0.81 HTR3A (0.38) HTR3ACDK2CDK9HRH4
SCHEMBL23508491 0.79 CDK2 (0.43) CSNK1DCSNK1ECDK12CDK2CDK9

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 HTR3A 2904/4885CSNK1D 963/4885CSNK1E 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.