SCHEMBL3948877

SCHEMBL3948877

Clc1ccccc1-c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
NPY5R Q15761 1/20 0.47
HSD17B10 Q99714 2/20 0.44
CYP19A1 P11511 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LIMK1 P53667 1/20 0.43
MCL1 Q07820 1/20 0.42
GRM5 P41594 1/20 0.42
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
ADRA1D P25100 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL28170355 0.85 P2RX7 (0.51) IDO1NPY5RGRM5PIEZO1P2RX7
SCHEMBL12853984 0.83 ALOX5AP (0.50) HSD17B10CYP19A1HPGDCYP1A2ADRA1A
SCHEMBL12853973 0.83 ALOX5AP (0.50) HSD17B10CYP19A1HPGDCYP1A2ADRA1A
SCHEMBL6662455 0.82 ALOX5AP (0.42) NPY5RHSD17B10HPGDNPC1RAB9A
SCHEMBL29157047 0.79 CNR1 (0.40) NPY5RHSD17B10CYP19A1HPGDNPC1
SCHEMBL7486893 0.78 PIEZO1 (0.47) HSD17B10CYP19A1NPC1RAB9AADRA1A
SCHEMBL30767271 0.77 IDO1 (0.50) IDO1NPY5RNPC1RAB9AKMT2A
SCHEMBL6074928 0.77 RAB9A (0.48) NPC1RAB9AL3MBTL1GRM5SMN1; SMN2
SCHEMBL532788 0.77 MAPT (0.51) HSD17B10HPGDNPC1RAB9AADRA1A
SCHEMBL3948151 0.77 IDO1 (0.50) IDO1NPY5RNPC1RAB9AKMT2A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867374-A Mildew preventive, mildew-proof product and mildew-proof paint 共同印刷株式会社 2023-10-10 CN disclosed
CN-106397406-B A kind of heteroaromatic derivative and preparation method thereof and a kind of organic electroluminescence device 吉林奥来德光电材料股份有限公司 2019-06-18 CN disclosed
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-2951170-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-24 EP disclosed
CN-105085516-B Aromatic heterocyclic derivative, preparation method thereof and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2018-07-10 CN disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
CN-106397406-A Aromatic heterocyclic derivative and preparing method thereof and inorganic electroluminescence device 吉林奥来德光电材料股份有限公司 2017-02-15 CN disclosed
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed
CN-102325767-A 7-phenoxy chroman carboxylic acid derivative ARRAY BIOPHARMA INC 2012-01-18 CN disclosed
CN-1930162-B Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD 2010-06-16 CN disclosed
CN-101679235-A Azetidine derivatives and their use as prostaglandin E2 antagonists PFIZER LTD 2010-03-24 CN disclosed
CN-101541792-A Azaadamantane derivatives and methods of use ABBOTT LAB (US) 2009-09-23 CN disclosed
US-7572797-B2 Amino substituted pyrazine derivatives for the treatment of pain PFIZER INC. (US) 2009-08-11 US disclosed
US-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide PFIZER LIMITED 2007-05-10 US disclosed
CN-1930162-A Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-03-14 CN disclosed
EP-0204172-B1 PHENYLPYRAZINE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1990-09-19 EP disclosed
US-4755514-A Phenylpyrazine derivatives and thrombolytic agent SUNTORY LIMITED (JP) 1988-07-05 US disclosed
EP-0204172-A2 Phenylpyrazine derivatives, processes for preparing them, pharmaceutical composition and use SUNTORY LIMITED (JP) 1986-12-10 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 (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-20070105872-A1 N-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-3-methylisoxazole-4-carboxamide; N-[6-amino-5-(2,3-dichloro-5-methoxyphenyl)pyrazin-2-yl]-1-methyl-1H-pyrazole-5-carboxamide P2RX5, P2RX3, AADAC IDO1 1481/4885NPY5R 64/4885HSD17B10 3235/4885

“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.