SCHEMBL9057968

SCHEMBL9057968

NNc1ccc(-c2ccc(F)cc2F)nn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.44
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KMO O15229 9/20 0.40
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
MAPK14 Q16539 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL4298735 0.84 ALPL (0.39) ALPLNPC1RAB9AALDH1A1MEN1
SCHEMBL10650715 0.75 RAB9A (0.66) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL25591567 0.75 ALPL (0.48) ALPLNPC1RAB9AALDH1A1KMO
SCHEMBL13273285 0.74 ALPL (0.43) ALPLNPC1RAB9AKMOMAPT
SCHEMBL3241946 0.74 CSNK1D (0.58) NPC1RAB9AKMO
SCHEMBL9057024 0.74 ALPL (0.43) ALPLNPC1RAB9AMEN1KMT2A
SCHEMBL4302719 0.74 MAP4K4 (0.58) MAPK14
SCHEMBL11383906 0.73 MEN1 (0.54) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL2609364 0.70 ALPL (0.40) ALPLKMOMAPK14
SCHEMBL4591958 0.70 ALPL (0.39) ALPLKMO

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 3 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
WO-2009005675-A1 NOVEL TRIAZOLOPYRIDAZINES ABBOTT LABORATORIES (US) 2009-01-08 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-20090270402-A1 Novel triazolopyridazines MAP3K5, MAP3K1, MAP3K2 ALPL 3403/4885NPC1 2195/4885RAB9A 2929/4885

“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.