SCHEMBL756390

SCHEMBL756390

O=C(Nc1cc[nH]n1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.57
RAB9A P51151 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
GAA P10253 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 3/20 0.54
TP53 P04637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.53
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL29493451 0.83 KDM4E (0.53) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL3421840 0.83 KDM4E (0.53) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL706559 0.83 MEN1 (0.63) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL696231 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL759767 0.81 CCNA2 (0.58) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL3421532 0.81 RXFP1 (0.43) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL15637834 0.81 LMNA (0.54) SMN1; SMN2GAATP53LMNARXFP1
SCHEMBL9220107 0.80 CES2 (0.44) NPC1RAB9ASMN1; SMN2GAATDP1
SCHEMBL3424144 0.79 CHRNB2 (0.61) GAAALDH1A1TP53KDM4EHTT
SCHEMBL7163149 0.79 POLB (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
WO-2015065338-A1 QUINAZOLINE BASED RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2015-05-07 WO disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 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 (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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E NPC1 1464/4885RAB9A 1678/4885SMN1; SMN2 2239/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 NPC1 433/4885RAB9A 1472/4885SMN1; SMN2 3063/4885

“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.