SCHEMBL31668596

SCHEMBL31668596

Cc1cc(N)ncc1-c1ccnc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
HTR6 P50406 7/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
KLKB1 P03952 1/20 0.41
PIK3C3 Q8NEB9 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39
CYP17A1 P05093 2/20 0.38
CYP1A2 P05177 1/20 0.38
BRD4 O60885 1/20 0.38
MET P08581 1/20 0.38
PKM P14618 1/20 0.36

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
SCHEMBL30135168 0.86 CYP2C19 (0.46) CYP2C19HTR6DRD2HTR2AKLKB1
SCHEMBL31668585 0.84 CYP2C19 (0.44) CYP2C19HTR6DRD2HTR2AKLKB1
SCHEMBL31668605 0.80 CYP2C19 (0.45) CYP2C19HTR6DRD2HTR2AKLKB1
SCHEMBL1672537 0.78 CYP2C19 (0.58) CYP2C19HTR6DRD2HTR2AL3MBTL1
SCHEMBL31668592 0.77 CYP2C19 (0.44) CYP2C19HTR6DRD2HTR2APIK3C3
SCHEMBL30135143 0.77 CYP2C19 (0.51) CYP2C19HTR6DRD2HTR2APIK3C3
SCHEMBL25322767 0.77 CYP2C19 (0.46) CYP2C19HTR6DRD2HTR2APIK3C3
SCHEMBL31668597 0.77 CYP2C19 (0.46) CYP2C19HTR6DRD2HTR2APIK3C3
SCHEMBL31668594 0.77 CYP2C19 (0.46) CYP2C19HTR6DRD2HTR2APIK3C3
SCHEMBL30543160 0.77 CYP2C19 (0.46) CYP2C19HTR6DRD2HTR2APIK3C3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250243196-A1 CITRON KINASE INHIBITORS THE CLEVELAND CLINIC FOUNDATION 2025-07-31 US 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-20250243196-A1 CITRON KINASE INHIBITORS CHEK2, CILK1, DCK CYP2C19 4454/4885HTR6 3372/4885DRD2 4873/4885

“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.