SCHEMBL20945423

SCHEMBL20945423

N#Cc1ccc(Nc2ccc3c(c2)CCN(C(=O)O)C3)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 3/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ TMPRSS2 O15393 4/20 0.41
▸ EGFR P00533 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ PGR P06401 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ FPR1 P21462 2/20 0.38
▸ FPR2 P25090 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL20945425 0.85 KCNJ1 (0.47) KCNJ1TMPRSS2S1PR1NPC1RAB9A
SCHEMBL19513096 0.84 ESR2 (0.55) KCNJ1NPC1RAB9AESR2JAK2
SCHEMBL5600099 0.77 KMT2A (0.45) TAS1R3TAS1R1TAS1R2S1PR1NPC1
SCHEMBL29040775 0.73 AKR1C3 (0.52) MEN1ESR1ESR2
SCHEMBL29097884 0.73 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2TMPRSS2NPC1
SCHEMBL19512840 0.72 ESR2 (0.50) KCNJ1S1PR1NPC1RAB9AMEN1
SCHEMBL13892124 0.72 ALDH1A1 (0.51) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL19512955 0.71 DRD2 (0.52) KCNJ1PGRS1PR1JAK2
SCHEMBL28369820 0.71 AKR1C3 (0.52) FPR1FPR2ESR1ESR2
SCHEMBL5459990 0.70 NPC1 (0.67) TMPRSS2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 — — EP disclosed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 — — US disclosed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — 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-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS NR0B1, GRK4, CRKL KCNJ1 245/4885TAS1R3 3090/4885TAS1R1 2483/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL KCNJ1 245/4885TAS1R3 3090/4885TAS1R1 2483/4885

“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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