SCHEMBL23508478

SCHEMBL23508478

CN1CCN(c2nc(NCc3nc4cc(C(F)(F)F)ccc4[nH]3)n3ncc(Br)c3n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 14/20 0.42
CSNK1D P48730 12/20 0.42
CDK2 P24941 1/20 0.38
DGAT1 O75907 2/20 0.36
SOAT1 P35610 2/20 0.36
KCNH2 Q12809 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR3B O95264 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL23508670 0.90 CSNK1E (0.43) CSNK1ECSNK1D
SCHEMBL23508213 0.89 CSNK1E (0.45) CSNK1ECSNK1DCDK2HRH4HTR2C
SCHEMBL23508574 0.88 CSNK1E (0.42) CSNK1ECSNK1DCDK2HRH4USP2
SCHEMBL23508385 0.88 CSNK1E (0.41) CSNK1ECSNK1DCDK2KCNH2HRH4
SCHEMBL25140214 0.88 CSNK1E (0.40) CSNK1ECSNK1DDGAT1SOAT1KCNH2
SCHEMBL23508421 0.87 CSNK1D (0.48) CSNK1ECSNK1DCDK2HRH4HTR3A
SCHEMBL23508550 0.86 CSNK1D (0.49) CSNK1ECSNK1DCDK2HRH4HTR2C
SCHEMBL25140221 0.85 CSNK1E (0.53) CSNK1ECSNK1DCDK2
SCHEMBL23508338 0.85 IDO1 (0.31) CSNK1E
SCHEMBL23508263 0.85 CSNK1D (0.53) CSNK1ECSNK1DCDK2HRH4TSHR

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.