SCHEMBL30338912

SCHEMBL30338912

COc1cncc(-c2cncnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.63
▸ CYP1B1 Q16678 1/20 0.63
▸ CYP11B1 P15538 16/20 0.59
▸ CYP11B2 P19099 16/20 0.59
▸ CYP1A2 P05177 4/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ MKNK1 Q9BUB5 1/20 0.53
▸ MKNK2 Q9HBH9 1/20 0.53
▸ CYP2C19 P33261 1/20 0.46
▸ CYP17A1 P05093 3/20 0.45
▸ CHRNB1 P11230 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNB3 Q05901 1/20 0.44

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
SCHEMBL5702666 0.91 CYP1A1 (0.74) CYP1A1CYP1B1CYP11B1CYP11B2CYP1A2
SCHEMBL21960161 0.81 CYP11B1 (0.73) CYP1A1CYP1B1CYP11B1CYP11B2CYP1A2
SCHEMBL22869164 0.80 CYP1A1 (0.55) CYP1A1CYP1B1CYP11B1CYP11B2CYP1A2
SCHEMBL32663058 0.80 CYP1A1 (0.55) CYP1A1CYP1B1CYP11B1CYP11B2CYP1A2
SCHEMBL12302844 0.79 CYP11B1 (0.65) CYP1A1CYP1B1CYP11B1CYP11B2CYP1A2
SCHEMBL168454 0.78 — —
SCHEMBL744752 0.78 CYP1A1 (0.61) CYP1A1CYP1B1CYP11B1CYP11B2CYP1A2
SCHEMBL15296276 0.78 CYP11B1 (0.64) CYP1A1CYP1B1CYP11B1CYP11B2CYP1A2
SCHEMBL11947382 0.78 CYP1A1 (0.62) CYP1A1CYP1B1CYP11B1CYP11B2CYP1A2
SCHEMBL12303147 0.78 DYRK1A (0.55) CYP1A1CYP1B1CYP11B1CYP11B2CYP1A2

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 CYP1A1 971/4885CYP1B1 241/4885CYP11B1 1632/4885

“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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