SCHEMBL17835336

SCHEMBL17835336

O=C(NC1CCCCC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.52
CDKL5 O76039 1/20 0.52
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CNR2 P34972 3/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NR2F2 P24468 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 2/20 0.37
USP30 Q70CQ3 2/20 0.37
PDE4B Q07343 1/20 0.37
KCNH2 Q12809 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
SCHEMBL1953122 0.96 MET (0.54) METCDKL5ALOX5APFEN1USP30
SCHEMBL1952690 0.94 MET (0.52) METCDKL5ALOX5APFEN1MAPK1
SCHEMBL1952687 0.94 MET (0.52) METCDKL5ALOX5APFEN1MAPK1
SCHEMBL1951680 0.88 MET (0.67) METCDKL5KCNH2
SCHEMBL1953683 0.86 MET (0.42) METCDKL5CNR2RAB9APDE4B
SCHEMBL1952042 0.86 MET (0.55) METCDKL5KCNH2
SCHEMBL837321 0.86 MET (0.55) METCDKL5PDE4B
SCHEMBL3825985 0.85 MET (0.52) METCDKL5ALOX5APFEN1MAPK1
SCHEMBL1951995 0.85 MET (0.53) METCDKL5
SCHEMBL1951507 0.85 RIPK1 (0.44) METCDKL5PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317680-A1 Imidazotriaines and Imidazopyrimidines as Kinase Inhibitors INCYTE HOLDINGS CORPORATION 2020-10-08 US disclosed
US-10738052-B2 Imidazotriaines and imidazopyrimidines as kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-08-11 US disclosed
US-9944645-B2 Imidazotriazines and imidazopyrimidines as kinase inhibitors INCYTE CORPORATION (US) 2018-04-17 US disclosed
EP-3034075-A1 IMIDAZOTRIAZINES AND IMIDAZOPYRIMIDINES AS KINASE INHIBITORS Incyte Holdings Corporation (US) 2016-06-22 EP 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 (2 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-20200317680-A1 Imidazotriaines and Imidazopyrimidines as Kinase Inhibitors MET, RET, ERBB2 MET 1/4885CDKL5 239/4885ALOX5AP 4395/4885
US-10738052-B2 Imidazotriaines and imidazopyrimidines as kinase inhibitors MET, RET, ERBB2 MET 1/4885CDKL5 239/4885ALOX5AP 4395/4885

“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.