SCHEMBL2333787

SCHEMBL2333787

CC(=O)c1ccnc(Cn2ncc(C(N)=O)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
KDM5C P41229 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
KDM5A P29375 1/20 0.35
KDM5D Q9BY66 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
SYK P43405 4/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
WNT1 P04628 2/20 0.33
DYRK1A Q13627 2/20 0.33
GSK3B P49841 2/20 0.33

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
SCHEMBL2333791 0.85 KDM4C (0.38) FYNCYP1A2POLBKDM5CKDM4C
SCHEMBL2327554 0.79 FYN (0.42) FYNPOLB
SCHEMBL2330813 0.79 CYP4F2 (0.38) TSHRGSK3BCSF1RGRM2
SCHEMBL8061432 0.74 ALDH1A1 (0.50) FYNKDM5CKDM4CKDM4ETSHR
SCHEMBL2328427 0.74 IRAK4 (0.39) MBOAT4GRM2
SCHEMBL27939553 0.74 KDM5C (0.39) CYP1A2POLBKDM5CKDM4CKDM4E
SCHEMBL2328426 0.73 CA2 (0.35) FYNMKNK1MKNK2GSK3BAURKA
SCHEMBL2329158 0.72 KLKB1 (0.34)
SCHEMBL2328182 0.70 TSHR (0.32) TSHR
SCHEMBL2327771 0.70 KLKB1 (0.34) LMNARETGRM2

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
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
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US 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

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 4170/4885CYP1A2 80/4885POLB 2532/4885

“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.