SCHEMBL3248199

SCHEMBL3248199

Fc1ccc(-c2cn3c(n2)CCC3)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 11/20 0.53
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAP4K4 O95819 2/20 0.42
EGFR P00533 2/20 0.42
CSNK1D P48730 2/20 0.42
PRKD2 Q9BZL6 2/20 0.42
MAPK9 P45984 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
PRKD3 O94806 1/20 0.41
F2RL3 Q96RI0 1/20 0.40

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
SCHEMBL4298564 0.96 WDR5 (0.49) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL17767640 0.83 WDR5 (0.53) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL15933673 0.79 PDCD1 (0.51) WDR5F2RL3
SCHEMBL4839735 0.78 WDR5 (0.71) WDR5ALDH1A1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL5312530 0.77 LMNA (0.57) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL9698908 0.74 LMNA (0.70) WDR5ALDH1A1NPC1RAB9ALMNA
SCHEMBL4293966 0.72 F2RL3 (0.40) F2RL3MAOAMAOB
SCHEMBL24631131 0.72 BRD4 (0.46)
SCHEMBL22051469 0.71 WDR5 (0.61) WDR5ALDH1A1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL20337621 0.71 LMNA (0.72) WDR5ALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2170337-A1 NOVEL TRIAZOLOPYRIDAZINES Abbott Laboratories (US) 2010-04-07 EP disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 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
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 WDR5 1026/4885ALDH1A1 435/4885NPC1 2195/4885

“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.