SCHEMBL15416110

SCHEMBL15416110

COc1ccc(-c2cnc(N)cn2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
PIK3CA P42336 3/20 0.47
CYP2A6 P11509 2/20 0.46
ATR Q13535 1/20 0.46
CYP19A1 P11511 1/20 0.46
ALOX5AP P20292 5/20 0.45
FEN1 P39748 5/20 0.45
NNMT P40261 1/20 0.45
KCNH2 Q12809 1/20 0.45
PIK3CD O00329 1/20 0.44
PIP5K1C O60331 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
MTOR P42345 1/20 0.44
FYN P06241 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL9966497 0.82 MKNK1 (0.57) MKNK1MKNK2PIK3CACYP2A6NNMT
SCHEMBL14970129 0.81 CYP2A6 (0.49) MKNK1MKNK2PIK3CACYP2A6ATR
SCHEMBL16835945 0.79 MKNK1 (0.51) MKNK1MKNK2PIK3CACYP2A6ATR
SCHEMBL168656 0.79 NPC1 (0.53) ALOX5APFEN1
SCHEMBL20936836 0.78 MKNK1 (0.50) MKNK1MKNK2PIK3CACYP2A6ATR
SCHEMBL24946129 0.77 FEN1 (0.41) PIK3CAALOX5APFEN1PIK3CDPIK3CB
SCHEMBL10219979 0.77 MKNK1 (0.45) MKNK1MKNK2CYP2A6ATRCYP19A1
SCHEMBL18039066 0.77 MKNK1 (0.49) MKNK1MKNK2PIK3CACYP2A6ATR
SCHEMBL13436023 0.77 MKNK1 (0.45) MKNK1MKNK2CYP2A6ATRCYP19A1
SCHEMBL31174412 0.77 CYP2A6 (0.68) MKNK1MKNK2PIK3CACYP2A6CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104136426-A Antimalarial agents UNIV CAPE TOWN 2014-11-05 CN claimed
EP-2872511-B1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-01-16 EP disclosed
US-9475820-B2 Substituted imidazo[1,2-a]pyrazines as TNF activity modulators UCB BIOPHARMA SPRL (BE) 2016-10-25 US disclosed
US-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2015-07-09 US disclosed
EP-2872511-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2015-05-20 EP disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 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-20150191482-A1 Imidazopyrazine Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA MKNK1 298/4885MKNK2 372/4885PIK3CA 1239/4885

“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.