SCHEMBL4590886

SCHEMBL4590886

NCCNc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.55
RAB9A P51151 7/20 0.54
ALOX5 P09917 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 7/20 0.52
NPC1 O15118 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 6/20 0.50
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 3/20 0.49
STAT1 P42224 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ADORA2A P29274 1/20 0.48

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
SCHEMBL9251705 0.91 RAB9A (0.53) NPY5RRAB9AALOX5ALDH1A1KMT2A
SCHEMBL3523965 0.85 MAPT (0.64) RAB9AALDH1A1KMT2ANPC1MAPT
SCHEMBL27857467 0.81 NPY5R (0.57) NPY5RRAB9AALOX5ALDH1A1KMT2A
SCHEMBL13646415 0.80 NPC1 (0.73) NPY5RRAB9AALOX5ALDH1A1KMT2A
SCHEMBL12297577 0.80 KDM4E (0.76) NPY5RRAB9AALDH1A1KMT2ANPC1
SCHEMBL28580508 0.79 KMT2A (0.67) NPY5RRAB9AALOX5ALDH1A1KMT2A
SCHEMBL4590880 0.78 KMT2A (0.59) NPY5RRAB9AALOX5ALDH1A1KMT2A
SCHEMBL4590653 0.78 ALOX5 (0.56) RAB9AALOX5ALDH1A1KMT2ANPC1
SCHEMBL4742175 0.77 KMT2A (0.59) NPY5RRAB9AALOX5ALDH1A1KMT2A
SCHEMBL3918661 0.76 GAA (0.58) NPY5RRAB9AALOX5ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518976-B2 e.g. 1-(3-(6-(2-fluorophenyl)pyridin-3-yl)propyl)-1H-pyridin-2-one; endothelial nitric oxide NO synthase inhibitor; antiinflammatory, hypotensive agent; atherosclerosis, thrombosis, coronary artery disease, and cardiac insufficiency SANOFI (FR) 2013-08-27 US disclosed
CN-101208328-B Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals SANOFI AVENTIS 2012-02-29 CN disclosed
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP disclosed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US disclosed
CN-101208328-A Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals SANOFI AVENTIS (FR) 2008-06-25 CN disclosed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
EP-1741709-A1 Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 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 (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-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 NPY5R 441/4885RAB9A 3899/4885ALOX5 82/4885

“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.