SCHEMBL21540839

SCHEMBL21540839

CCC(C)c1cccc2[nH]ncc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.54
▸ NOS1 P29475 4/20 0.47
▸ AXL P30530 2/20 0.47
▸ METAP2 P50579 1/20 0.44
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.41
▸ MET P08581 1/20 0.40
▸ NR3C1 P04150 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
SCHEMBL24368019 1.00 IDO1 (0.54) IDO1NOS1AXLMETAP2JAK2
SCHEMBL21216406 0.87 IDO1 (0.51) IDO1NOS1AXLMETAP2JAK2
Hydrochloric Acid SCHEMBL13386757 0.84 IDO1 (0.51) IDO1NOS1AXLMETAP2JAK2
SCHEMBL2611042 0.82 IDO1 (0.55) IDO1NOS1AXLMETAP2JAK2
SCHEMBL22079091 0.79 IDO1 (0.53) IDO1NOS1AXLMETAP2JAK2
SCHEMBL28592498 0.79 IDO1 (0.53) IDO1NOS1AXLMETAP2JAK2
SCHEMBL23021781 0.79 IDO1 (0.60) IDO1NOS1AXLMETAP2JAK2
SCHEMBL20353958 0.79 IDO1 (0.53) IDO1NOS1AXLMETAP2JAK2
SCHEMBL21952718 0.78 TRPA1 (0.40) IDO1NOS1AXLMETAP2TSHR
SCHEMBL24094124 0.78 NOS1 (0.41) IDO1NOS1AXLMETAP2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS ASTRAZENECA UK LIMITED (GB) 2022-04-28 — — US disclosed
US-20190330235-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2019-10-31 — — 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 (2 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-20190330235-A1 TRICYCLIC P13K INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PI4KA, PIK3CA IDO1 1847/4885NOS1 1726/4885AXL 860/4885
US-20220127281-A1 HETEROARYL COMPOUNDS THAT INHIBIT G12C MUTANT RAS PROTEINS KRAS, NRAS, HRAS IDO1 4693/4885NOS1 4755/4885AXL 2768/4885

“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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