SCHEMBL21952718

SCHEMBL21952718

CCC(C)c1ccc2[nH]ncc2c1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.40
▸ IDO1 P14902 4/20 0.36
▸ AXL P30530 2/20 0.35
▸ NOS1 P29475 3/20 0.34
▸ ESR1 P03372 4/20 0.33
▸ ESR2 Q92731 4/20 0.33
▸ FGFR2 P21802 3/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CDK2 P24941 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ CCNA1 P78396 1/20 0.32

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
SCHEMBL23685819 0.88 TRPA1 (0.39) TRPA1IDO1AXLNOS1ESR1
SCHEMBL20618762 0.83 TRPA1 (0.44) TRPA1IDO1AXLNOS1METAP2
SCHEMBL24094124 0.81 NOS1 (0.41) TRPA1IDO1AXLNOS1ESR1
SCHEMBL21540839 0.78 IDO1 (0.54) IDO1AXLNOS1METAP2TSHR
SCHEMBL24368019 0.78 IDO1 (0.54) IDO1AXLNOS1METAP2TSHR
SCHEMBL23685818 0.73 TRPA1 (0.44) TRPA1IDO1AXLNOS1ESR1
SCHEMBL25581727 0.72 TSHR (0.36) TSHR
SCHEMBL26714988 0.72 AXL (0.49) TRPA1AXLESR1ESR2CDK2
SCHEMBL21217948 0.71 TRPA1 (0.39) TRPA1IDO1AXLNOS1ESR1
SCHEMBL24969371 0.71 ESR2 (0.36) IDO1AXLNOS1ESR1ESR2

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-11046700-B2 Substituted imidazo[1,2-a]pyrazines, pyrazolo[1,5-c]pyrimidines, pyrazolo[1,5-a]pyridines, and purines for the treatment of schistosomiasis MERCK PATENT GMBH (DE) 2021-06-29 — — US disclosed
US-20200123158-A1 NOVEL COMPOUNDS AND THEIR USE IN THE TREATMENT OF SCHISTOSOMIASIS SALVENSIS (GB) 2020-04-23 — — 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 (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-11046700-B2 Substituted imidazo[1,2-a]pyrazines, pyrazolo[1,5-c]pyrimidines, pyrazolo[1,5-a]pyridines, and purines for the treatment of schistosomiasis P2RY1, P2RX5, TPMT TRPA1 1075/4885IDO1 90/4885AXL 1180/4885
US-20200123158-A1 NOVEL COMPOUNDS AND THEIR USE IN THE TREATMENT OF SCHISTOSOMIASIS SI, SLC10A2, ALPI TRPA1 1530/4885IDO1 345/4885AXL 3201/4885

“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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