SCHEMBL4497002

SCHEMBL4497002

Cc1nc(N)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
RAB9A P51151 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PPARG P37231 1/20 0.44
STAT3 P40763 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL4581787 0.84 NOS3 (0.50) BACE1NOS3NOS1NOS2RAB9A
SCHEMBL1256198 0.84 NOS3 (0.50) BACE1NOS3NOS1NOS2RAB9A
SCHEMBL4581784 0.81 NOS3 (0.47) BACE1NOS3NOS1NOS2RAB9A
SCHEMBL4499287 0.81 NOS3 (0.47) BACE1NOS3NOS1NOS2RAB9A
SCHEMBL11008096 0.80 NOS3 (0.50) BACE1NOS3NOS1NOS2RAB9A
SCHEMBL21223602 0.80 MAP4K4 (0.50) BACE1RAB9AALDH1A1NPC1KDM4E
SCHEMBL11011522 0.80 BACE1 (0.50) BACE1RAB9AALDH1A1NPC1KDM4E
SCHEMBL11069575 0.78 NOS3 (0.48) NOS3NOS1NOS2RAB9ANPC1
SCHEMBL1528907 0.78 KMT2A (0.49) NOS3NOS1NOS2RAB9AMEN1
SCHEMBL16835898 0.77 NOS3 (0.47) NOS3NOS1NOS2RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2943481-B1 (HETERO)ARYLACETAMIDE DERIVATIVES AS ANTIRETROVIRAL AGENTS GILEAD SCIENCES INC (US) 2018-05-02 EP disclosed
US-9050344-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-06-09 US disclosed
US-8211913-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-07-03 US disclosed
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES AMREIN KURT 2009-06-11 US disclosed
US-7528159-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
EP-1789041-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-05-30 EP disclosed
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. 2006-02-02 US disclosed
WO-2006010546-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2006-02-02 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-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES GPR119, CYP4B1, SLC5A1 BACE1 600/4885NOS3 2518/4885NOS1 1338/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 BACE1 600/4885NOS3 2518/4885NOS1 1338/4885

“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.