SCHEMBL571870

SCHEMBL571870

CC(=O)Nc1ccc(F)c2cc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ BTK Q06187 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ AR P10275 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ JAK1 P23458 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TGFBR1 P36897 2/20 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
SCHEMBL25667793 0.82 BTK (0.46) CA1CA2CA9BTKNR3C1
SCHEMBL31488142 0.81 RXFP1 (0.57) CA1CA2CA9BTKHDAC1
SCHEMBL6444544 0.75 P2RX7 (0.40) BTK
SCHEMBL25351455 0.71 ROCK2 (0.47) CA1CA2CA9BTKHDAC1
SCHEMBL5258354 0.71 PIM3 (0.47) CA1CA2CA9BTKKDM4E
SCHEMBL31203605 0.71 PIM3 (0.47) CA1CA2CA9BTKKDM4E
SCHEMBL29445672 0.70 TNF (0.45) BTKNR3C1PGRNR3C2AR
SCHEMBL2542070 0.70 TNF (0.45) BTKNR3C1PGRNR3C2AR
SCHEMBL31456523 0.70 NR3C1 (0.57) BTKNR3C1PGRNR3C2AR
SCHEMBL6091339 0.70 NR3C1 (0.57) BTKNR3C1PGRNR3C2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601174-B1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
EP-2601174-B1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2014-11-26 — — EP disclosed
EP-2601174-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2013-06-12 — — EP disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 — — US disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 — — US disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 — — US disclosed
US-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 — — US disclosed
US-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 — — US disclosed
US-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 — — US disclosed
WO-2012019003-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 — — WO disclosed
WO-2012019003-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 — — 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-20120202775-A1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES IDO1, IDO2, INMT CA1 4837/4885CA2 4434/4885CA9 4374/4885

“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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