SCHEMBL3901503

SCHEMBL3901503

Nc1cccnc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.60
SMN1; SMN2 Q16637 8/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
BRD4 O60885 1/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
ALOX15 P16050 2/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
F10 P00742 2/20 0.52
PTK2 Q05397 1/20 0.51
TSHR P16473 3/20 0.51
TP53 P04637 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL3175503 0.84 GRM4 (0.72) GRM4SMN1; SMN2RAB9ANPC1HTT
SCHEMBL28764679 0.84 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1BRD4RAB9ANPC1
SCHEMBL29837506 0.84 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1BRD4RAB9ANPC1
SCHEMBL4283746 0.83 NPC1 (0.57) GRM4SMN1; SMN2RAB9ANPC1TP53
SCHEMBL6772756 0.83 GRM5 (0.62) SMN1; SMN2L3MBTL1BRD4RAB9ANPC1
SCHEMBL6769262 0.81 SMN1; SMN2 (0.63) SMN1; SMN2L3MBTL1BRD4RAB9ANPC1
SCHEMBL5205251 0.80 L3MBTL1 (0.57) SMN1; SMN2L3MBTL1BRD4RAB9ANPC1
SCHEMBL30338953 0.80 NPC1 (0.70) SMN1; SMN2L3MBTL1BRD4RAB9ANPC1
SCHEMBL890674 0.80 NPC1 (0.70) SMN1; SMN2L3MBTL1BRD4RAB9ANPC1
SCHEMBL18070988 0.80 L3MBTL1 (0.60) SMN1; SMN2L3MBTL1BRD4RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
CN-100475777-C Amide type carboxamide derivative TANABE SEIYAKU CO (JP) 2009-04-08 CN disclosed
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7449457-B2 Substituted heterocyclic carboxamides with antithrombotic activity ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-7375119-B2 Amide type carboxamide derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-05-20 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
US-20040058959-A1 Substituted carboxamides HERRON DAVID KENT (US) 2004-03-25 US disclosed
US-6689780-B1 PYRIDINE DERIVATIVES ELI LILLY AND COMPANY 2004-02-10 US disclosed
EP-1379506-A2 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY (US) 2004-01-14 EP disclosed
WO-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed
EP-1140905-B1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA LILLY CO ELI (US) 2003-05-14 EP disclosed
EP-1307444-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2003-05-07 EP disclosed
WO-2002064567-A2 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2002-08-22 WO disclosed
WO-2002010154-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2002-02-07 WO disclosed
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 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-20080108594-A1 Antithrombotic Ethers F11, SERPINC1, F2 GRM4 4725/4885SMN1; SMN2 4162/4885L3MBTL1 4258/4885
US-20040058959-A1 Substituted carboxamides F11, F12, TFPI GRM4 4592/4885SMN1; SMN2 2880/4885L3MBTL1 4714/4885

“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.