SCHEMBL2327558

SCHEMBL2327558

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.43
SRC P12931 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.40
CHRM3 P20309 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.39
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2327554 0.84 FYN (0.42) FYNSRCL3MBTL1ALDH1A1POLB
SCHEMBL2330819 0.77 GABRP (0.36) ALDH1A1
SCHEMBL2333791 0.77 KDM4C (0.38) FYNPOLBTSHRLMNAKDM4E
SCHEMBL2821286 0.76 MEN1 (0.60) L3MBTL1ALDH1A1POLBTDP1HTT
SCHEMBL17610665 0.74 CYP19A1 (0.53) L3MBTL1ALDH1A1POLBTSHRMAPT
SCHEMBL27951818 0.74 MAOB (0.43) FYNL3MBTL1ALDH1A1POLBTDP1
SCHEMBL2328428 0.73 CA2 (0.37) FYNALDH1A1TSHRMAPTKDM4E
SCHEMBL2328430 0.73 IRAK4 (0.39)
SCHEMBL2327481 0.72 TSHR (0.35) L3MBTL1ALDH1A1TDP1TSHRLMNA
SCHEMBL1704117 0.71 KDM4E (0.42) L3MBTL1ALDH1A1POLBTDP1HTT

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 4170/4885SRC 4516/4885L3MBTL1 3703/4885

“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.