SCHEMBL317654

SCHEMBL317654

N#Cc1cc(Cl)c(F)c(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
ADRB2 P07550 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
ADORA1 P30542 11/20 0.42
ADORA2A P29274 7/20 0.42
ADORA2B P29275 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.41
ADORA3 P0DMS8 1/20 0.40
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL2983238 0.76 ADORA1 (0.44) SMN1; SMN2LMNAMAPTADRB2TDP1
SCHEMBL11031495 0.74 MAPT (0.44) SMN1; SMN2LMNAMAPTADRB2TDP1
SCHEMBL11027030 0.72 ERBB2 (0.43) SMN1; SMN2LMNAMAPTADRB2TDP1
SCHEMBL316936 0.71 PIK3CA (0.46) SMN1; SMN2TDP1HPGDKDM4EGAA
SCHEMBL11030503 0.70 ERBB2 (0.44) SMN1; SMN2LMNAMAPTADRB2TDP1
SCHEMBL316671 0.69 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTADRB2TDP1
SCHEMBL17165889 0.69 KDM4E (0.50) SMN1; SMN2LMNAMAPTADRB2TDP1
SCHEMBL8547523 0.69 KDM4E (0.51) SMN1; SMN2LMNAMAPTADRB2TDP1
SCHEMBL28805715 0.69 KDM4E (0.49) SMN1; SMN2MAPTTDP1L3MBTL1HPGD
SCHEMBL22064956 0.68 KDM4E (0.67) SMN1; SMN2LMNAMAPTADRB2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 US disclosed
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 SMN1; SMN2 3232/4885LMNA 2766/4885MAPT 4561/4885

“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.