SCHEMBL30338591

SCHEMBL30338591

CCCOc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.68
CHRNA4 P43681 6/20 0.68
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP19A1 P11511 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL171896 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
Ammonia Solution, Strong SCHEMBL7207615 0.98 CHRNB2 (0.66) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL422229 0.90 CYP2C9 (0.70) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL23596366 0.89 CHRNB2 (0.60) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL20730105 0.89 CHRNB2 (0.64) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL19055583 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL9367178 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL4888697 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL30542607 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1
SCHEMBL3229561 0.87 CHRNB2 (0.62) CHRNB2CHRNA4CYP3A4CYP2D6CYP19A1

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-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases STEP PHARMA S.A.S. (FR) 2023-03-23 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-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases CTPS1, CTPS2, CERS2 CHRNB2 3669/4885CHRNA4 4317/4885CYP3A4 2600/4885

“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.