SCHEMBL463124

SCHEMBL463124

FC(F)(F)CCNc1cc(OC2CCCC2)nn2ccnc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.35
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
SYK P43405 6/20 0.32

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
SCHEMBL470189 0.79 CCNE1 (0.42) TTKSYK
SCHEMBL458935 0.79 TTK (0.41) TTK
SCHEMBL457296 0.75 TRPM5 (0.32) TTKSYK
SCHEMBL457318 0.75 LNPEP (0.34) LOXLOXL2
SCHEMBL456681 0.74 TTK (0.36) TTKSYK
SCHEMBL17425405 0.70 JAK2 (0.32)
SCHEMBL455650 0.68 TTK (0.74) TTK
SCHEMBL12986953 0.63 L3MBTL1 (0.47) TTK
SCHEMBL12986160 0.62 TTK (0.41) TTK
SCHEMBL12949445 0.62 HSD11B1 (0.42) LOXLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-19 US disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 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-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BUB1, TTBK1, BUB1B TTK 4/4885LOX 4371/4885LOXL2 4486/4885

“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.