SCHEMBL22079091

SCHEMBL22079091

C[C@H](N)c1cccc2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.53
▸ NOS1 P29475 4/20 0.50
▸ AXL P30530 2/20 0.50
▸ METAP2 P50579 1/20 0.46
▸ MET P08581 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TRPV1 Q8NER1 4/20 0.43
▸ BRD4 O60885 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PNMT P11086 1/20 0.39

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
SCHEMBL28592498 1.00 IDO1 (0.53) IDO1NOS1AXLMETAP2MET
SCHEMBL2611042 0.85 IDO1 (0.55) IDO1NOS1AXLMETAP2MET
SCHEMBL23021781 0.82 IDO1 (0.60) IDO1NOS1AXLMETAP2MET
SCHEMBL20353958 0.82 IDO1 (0.53) IDO1NOS1AXLMETAP2MET
Hydrochloric Acid SCHEMBL13386757 0.80 IDO1 (0.51) IDO1NOS1AXLMETAP2MET
SCHEMBL24368019 0.79 IDO1 (0.54) IDO1NOS1AXLMETAP2MET
SCHEMBL21540839 0.79 IDO1 (0.54) IDO1NOS1AXLMETAP2MET
SCHEMBL24285801 0.79 IDO1 (0.50) IDO1NOS1AXLMETAP2MET
SCHEMBL12491511 0.79 IDO1 (0.50) IDO1NOS1AXLMETAP2MET
SCHEMBL13644163 0.78 IDO1 (0.52) IDO1NOS1AXLMETAP2MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358910-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-07-15 — — US disclosed
CN-113166117-B Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际公司 2025-04-15 — — CN disclosed
EP-3891142-B1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-09-14 — — EP disclosed
CN-113166117-A Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际公司 2021-07-23 — — CN disclosed
WO-2020114949-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-11 — — 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-12358910-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH IDO1 1005/4885NOS1 3879/4885AXL 1530/4885

“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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