SCHEMBL2327554

SCHEMBL2327554

CC(=O)c1cccc(Cn2ncc(C(N)=O)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.42
PLA2G10 O15496 1/20 0.42
F10 P00742 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
SRC P12931 1/20 0.38
EPHX1 P07099 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
MAOB P27338 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL2327558 0.84 FYN (0.43) FYNL3MBTL1ALDH1A1POLBTDP1
SCHEMBL2330813 0.80 CYP4F2 (0.38) ALDH1A1
SCHEMBL2333787 0.79 FYN (0.37) FYNPOLB
SCHEMBL2328427 0.75 IRAK4 (0.39) BRD4
SCHEMBL2328426 0.74 CA2 (0.35) FYN
SCHEMBL2329287 0.74 MAPT (0.48) ALDH1A1POLBHTT
SCHEMBL2328383 0.73 KDM4E (0.41) L3MBTL1ALDH1A1POLBTDP1HTT
SCHEMBL27951818 0.72 MAOB (0.43) FYNL3MBTL1ALDH1A1POLBTDP1
SCHEMBL2821286 0.71 MEN1 (0.60) L3MBTL1ALDH1A1POLBTDP1HTT
SCHEMBL2327771 0.71 KLKB1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
JP-4656674-B2 2011-03-23 JP claimed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US claimed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP claimed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO claimed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R FYN 4170/4885PLA2G10 2634/4885F10 1179/4885

“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.