SCHEMBL459405

SCHEMBL459405

CNC(=O)c1ccc(-c2cnc3c(NCCN4CCOCC4)cc(Br)nn23)cc1C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTK P33981 16/20 0.50
FYN P06241 2/20 0.44
CYP3A4 P08684 1/20 0.42
LCK P06239 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPK14 Q16539 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL470339 0.92 TTK (0.49) TTKFYNCYP3A4
SCHEMBL10279112 0.91 TTK (0.61) TTKCYP3A4LCKKITKDR
SCHEMBL470065 0.91 TTK (0.49) TTKFYNLCKKITKDR
SCHEMBL15555121 0.85 TTK (0.54) TTKFYNCYP3A4
SCHEMBL15555454 0.85 TTK (0.55) TTKCYP3A4
SCHEMBL17416373 0.85 TTK (0.66) TTKCYP3A4
SCHEMBL17416383 0.84 TTK (0.48) TTKFYNMAPK14
SCHEMBL15554683 0.83 TTK (0.56) TTKFYNCYP3A4
SCHEMBL17425425 0.83 TTK (0.58) TTKFYNCYP3A4
SCHEMBL17416352 0.82 TTK (0.59) TTK

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 6 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
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

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 4/4885FYN 657/4885CYP3A4 2460/4885

“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.