SCHEMBL23508330

SCHEMBL23508330

Brc1cnn2c(NCc3nc4ccccc4[nH]3)nc(N3CCNCC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 6/20 0.53
CSNK1E P49674 6/20 0.53
HTR3A P46098 1/20 0.44
DRD4 P21917 2/20 0.39
GRM2 Q14416 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.37
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
PDE10A Q9Y233 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
KHK P50053 1/20 0.35
ROCK1 Q13464 1/20 0.35
GSK3B P49841 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
SCHEMBL23508404 0.92 CSNK1D (0.44) CSNK1DCSNK1EDRD4GRM2HSD17B10
SCHEMBL30013457 0.92 CSNK1D (0.44) CSNK1DCSNK1EDRD4GRM2HSD17B10
SCHEMBL23497861 0.92 CSNK1D (0.44) CSNK1DCSNK1EDRD4GRM2HSD17B10
SCHEMBL23497452 0.91 CSNK1D (0.44) CSNK1DCSNK1EDRD4GRM2HSD17B10
SCHEMBL30013448 0.91 CSNK1D (0.44) CSNK1DCSNK1EDRD4GRM2HSD17B10
SCHEMBL23508263 0.90 CSNK1D (0.53) CSNK1DCSNK1EHTR3ADRD4GRM2
SCHEMBL23508258 0.90 CSNK1E (0.53) CSNK1DCSNK1EGSK3B
SCHEMBL23508544 0.88 CSNK1D (0.42) CSNK1DCSNK1EDRD4GRM2HSD17B10
SCHEMBL23508548 0.88 CSNK2A1 (0.46) CSNK1DCSNK1EDRD4GRM2PKM
SCHEMBL23497601 0.88 CSNK1D (0.41) CSNK1DCSNK1EDRD4GRM2HSD17B10

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 CSNK1D 963/4885CSNK1E 1596/4885HTR3A 2904/4885

“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.