SCHEMBL23508338

SCHEMBL23508338

FC(F)(F)c1ccc2[nH]c(CNc3nc(N4CC5CCC(C4)N5)nc4c(Br)cnn34)nc2c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.31
CSNK1E P49674 2/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 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
SCHEMBL23508313 0.90 IDO1 (0.34) IDO1CSNK1E
SCHEMBL23508389 0.88 PDE10A (0.31)
SCHEMBL23508494 0.86 CSNK1E (0.40) IDO1CSNK1EROCK2ROCK1
SCHEMBL25140223 0.86 CSNK1D (0.38) IDO1CSNK1E
SCHEMBL23508478 0.85 CSNK1E (0.42) CSNK1E
SCHEMBL23508670 0.85 CSNK1E (0.43) CSNK1E
SCHEMBL23508334 0.84 MEN1 (0.33) CSNK1E
SCHEMBL23508626 0.84 CDK12 (0.41) CSNK1EROCK2
SCHEMBL23508333 0.83 CDK12 (0.36) CSNK1EROCK2ROCK1
SCHEMBL23508532 0.80 CSNK1E (0.36) CSNK1E

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 IDO1 1363/4885CSNK1E 1596/4885JAK2 654/4885

“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.