SCHEMBL4298735

SCHEMBL4298735

NNc1ccc(-c2c[nH]nc2-c2ccc(F)cc2F)nn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.39
MAPK14 Q16539 2/20 0.35
KIT P10721 1/20 0.34
KMO O15229 9/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL9057968 0.84 ALPL (0.44) ALPLMAPK14KMONPC1RAB9A
SCHEMBL3242080 0.81 ALPL (0.40) ALPLMAPK14KITKMOMEN1
SCHEMBL3241946 0.69 CSNK1D (0.58) KMONPC1RAB9A
SCHEMBL4302719 0.69 MAP4K4 (0.58) MAPK14
SCHEMBL15186338 0.68 ALPL (0.41) ALPLMAPK14KITALDH1A1MEN1
SCHEMBL13874182 0.68 ABCC8 (0.40) ALPLKITALDH1A1MEN1KMT2A
SCHEMBL4294018 0.67 MAP4K4 (0.59) MAPK14
SCHEMBL4294016 0.67 MAP4K4 (0.50) MAPK14
SCHEMBL4296594 0.66 MAP4K4 (0.45) MAPK14
SCHEMBL22075245 0.65 FEN1 (0.38) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 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-20090270402-A1 Novel triazolopyridazines MAP3K5, MAP3K1, MAP3K2 ALPL 3403/4885MAPK14 72/4885KIT 234/4885

“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.