SCHEMBL30338748

SCHEMBL30338748

COc1cc(F)cc(-c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.56
▸ CYP11B1 P15538 5/20 0.56
▸ CYP17A1 P05093 4/20 0.56
▸ CYP19A1 P11511 3/20 0.56
▸ ABCB1 P08183 3/20 0.49
▸ CYP1A1 P04798 2/20 0.49
▸ CYP1B1 Q16678 2/20 0.49
▸ CYP3A4 P08684 6/20 0.48
▸ CYP1A2 P05177 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP2A6 P11509 2/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPY5R Q15761 1/20 0.48

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
SCHEMBL13362350 1.00 CYP11B2 (0.56) CYP11B2CYP11B1CYP17A1CYP19A1ABCB1
SCHEMBL30338584 0.88 CYP11B2 (0.65) CYP11B2CYP11B1CYP17A1CYP19A1ABCB1
SCHEMBL9009066 0.82 CYP2A6 (0.65) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL27859257 0.80 CYP1A1 (0.55) CYP11B2CYP11B1CYP17A1ABCB1CYP1A1
SCHEMBL30018135 0.80 CYP1A1 (0.55) CYP11B2CYP11B1CYP17A1ABCB1CYP1A1
SCHEMBL29566706 0.80 CYP11B2 (0.73) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL792083 0.80 CYP11B2 (0.73) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL29419006 0.80 CYP11B2 (0.63) CYP11B2CYP11B1CYP17A1CYP19A1CYP1A1
SCHEMBL6606854 0.79 CYP1A1 (0.55) ABCB1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL30255126 0.78 CYP2A6 (0.54) CYP11B2CYP11B1CYP3A4CYP1A2ALDH1A1

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 CYP11B2 2350/4885CYP11B1 1632/4885CYP17A1 2801/4885

“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.

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