SCHEMBL2870416

SCHEMBL2870416

N#Cc1c(C(=O)O)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
XDH P47989 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NR4A3 Q92570 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RPA1 P27694 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NOTUM Q6P988 1/20 0.39
MAPK14 Q16539 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
SCHEMBL6963674 0.86 POLB (0.55) XDHHPGDL3MBTL1SMN1; SMN2NR4A3
SCHEMBL10893230 0.85 MAPK14 (0.53) PTPN1XDHMEN1KMT2AL3MBTL1
SCHEMBL10366100 0.85 XDH (0.45) XDHMEN1KMT2ARAB9ANPC1
SCHEMBL10890676 0.85 RAB9A (0.49) XDHRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL10897041 0.85 RXRA (0.50) KMT2ARAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL10834339 0.85 RPA1 (0.49) XDHMEN1KMT2ANPSR1L3MBTL1
SCHEMBL10892897 0.84 XDH (0.43) XDHMEN1KMT2AHPGDHSD17B10
SCHEMBL10368222 0.83 NPC1 (0.47) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL10368106 0.83 KMT2A (0.47) PTPN1MEN1KMT2AUSP2HPGD
SCHEMBL10896777 0.82 MAPT (0.40) PTPN1XDHMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4631343-A Cyanopyrazole intermediates ELI LILLY AND COMPANY (US) 1986-12-23 US claimed
EP-2227453-B1 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMA (US) 2016-03-09 EP disclosed
US-8519137-B2 Heteroaryl amides useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
EP-2227453-A2 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2010-09-15 EP disclosed
WO-2009049180-A2 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-16 WO disclosed
US-20090099233-A1 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2009-04-16 US disclosed
EP-1620405-A2 PYRAZOLE-AMIDES AND SULFONAMIDES AS SODIUM CHANNEL MODULATORS Abbott Laboratories (US) 2006-02-01 EP disclosed
US-20050020564-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2005-01-27 US disclosed
WO-2004099154-A2 PYRAZOLE-AMIDES AND SULFONAMIDES AS SODIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2004-11-18 WO disclosed
US-20040220170-A1 Pyrazole-amides and sulfonamides as sodium channel modulators ABBOTT LABORATORIES 2004-11-04 US disclosed
EP-0151867-B1 CYANOPYRAZOLE HERBICIDES ELI LILLY AND COMPANY (US) 1990-01-10 EP disclosed
US-4631343-A Cyanopyrazole intermediates ELI LILLY AND COMPANY (US) 1986-12-23 US disclosed
US-4589905-A TERRESTRIAL AND AQUATIC APPLICATIONS ELI LILLY AND COMPANY (US) 1986-05-20 US disclosed
EP-0151867-A2 Cyanopyrazole herbicides ELI LILLY AND COMPANY (US) 1985-08-21 EP 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 (3 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-20090099233-A1 HETEROARYL AMIDES USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN3A, SCN2A PTPN1 2224/4885XDH 2386/4885MEN1 2896/4885
US-20050020564-A1 Pyrazole-amides and sulfonamides as sodium channel modulators SCN3A, KCNN3, TRPV3 PTPN1 2075/4885XDH 4066/4885MEN1 4304/4885
US-20040220170-A1 Pyrazole-amides and sulfonamides as sodium channel modulators SCN3A, KCNN3, TRPV3 PTPN1 2075/4885XDH 4066/4885MEN1 4304/4885

“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.