SCHEMBL20945425

SCHEMBL20945425

N#Cc1ccc(CNc2ccc3c(c2)CCN(C(=O)O)C3)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 2/20 0.47
▸ S1PR1 P21453 4/20 0.42
▸ HSD17B3 P37058 1/20 0.41
▸ FPR1 P21462 4/20 0.41
▸ FPR2 P25090 4/20 0.41
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ TMPRSS2 O15393 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PDE5A O76074 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ FFAR1 O14842 1/20 0.38

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
SCHEMBL19512840 0.86 ESR2 (0.50) KCNJ1S1PR1MEN1KMT2ANPC1
SCHEMBL20945423 0.85 KCNJ1 (0.53) KCNJ1S1PR1FPR1FPR2TMPRSS2
SCHEMBL17797510 0.76 TMPRSS2 (0.53) HSD17B3TMPRSS2KMT2AALDH1A1NPC1
SCHEMBL20537078 0.75 HSD17B3 (0.53) HSD17B3TMPRSS2MEN1KMT2AALDH1A1
SCHEMBL19475800 0.75 DRD2 (0.46) KCNJ1ROCK2ALDH1A1
SCHEMBL1951535 0.73 KMT2A (0.48) S1PR1HSD17B3TMPRSS2MEN1KMT2A
SCHEMBL19475915 0.72 KCNJ1 (0.55) KCNJ1PRMT5WDR77KCNH2
SCHEMBL30569171 0.72 KCNJ1 (0.55) KCNJ1PRMT5WDR77KCNH2
SCHEMBL5600099 0.72 KMT2A (0.45) S1PR1MEN1KMT2AALDH1A1NPC1
SCHEMBL29097825 0.72 ERCC1 (0.43) TMPRSS2MEN1KMT2ANPC1RAB9A

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 245/4885S1PR1 1190/4885HSD17B3 711/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL KCNJ1 245/4885S1PR1 1190/4885HSD17B3 711/4885

“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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