SCHEMBL3245685

SCHEMBL3245685

Fc1ccc(C#Cc2ccc(F)cc2F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GRM5 P41594 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
NR3C2 P08235 1/20 0.44
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MME P08473 1/20 0.40
ECE1 P42892 1/20 0.40
TRPV3 Q8NET8 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38

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
SCHEMBL4746682 0.87 ALDH1A1 (0.41) ALDH1A1GRM5PTGDR2NR3C2CES2
SCHEMBL4231062 0.85 NR3C2 (0.40) ALDH1A1GRM5PTGDR2NR3C2CES2
SCHEMBL6141336 0.85 ALDH1A1 (0.39) ALDH1A1GRM5PTGDR2NR3C2CES2
SCHEMBL79584 0.80 MME (0.46) ALDH1A1GRM5PTGDR2NR3C2CES2
SCHEMBL29305005 0.80 TRPV3 (0.41) ALDH1A1GRM5PTGDR2NR3C2CES2
SCHEMBL29896412 0.80 TRPV3 (0.39) ALDH1A1GRM5PTGDR2NR3C2CES2
SCHEMBL14770099 0.80 ALDH1A1 (0.35) ALDH1A1GRM5PTGDR2NR3C2CES2
SCHEMBL6364007 0.80 TRPV3 (0.39) ALDH1A1GRM5PTGDR2NR3C2CES2
SCHEMBL2764279 0.79 ALDH1A1 (0.42) ALDH1A1GRM5PTGDR2NR3C2CES2
SCHEMBL57346 0.79 TRPV4 (0.61) ALDH1A1TRPV4CYP11B1CYP11B2

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-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
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 ALDH1A1 435/4885GRM5 1904/4885PTGDR2 293/4885

“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.