SCHEMBL469926

SCHEMBL469926

CC(C)(O)CNc1cc(Sc2cccc(F)c2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 10/20 0.41
PIM1 P11309 2/20 0.34
LRRK2 Q5S007 1/20 0.34
NTRK1 P04629 6/20 0.34
NTRK3 Q16288 6/20 0.34
NTRK2 Q16620 6/20 0.34
FYN P06241 1/20 0.33

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
SCHEMBL457290 0.91 TTK (0.43) TTKPIM1
SCHEMBL456226 0.84 TTK (0.41) TTKPIM1LRRK2NTRK1NTRK3
SCHEMBL470017 0.83 TTK (0.46) TTKPIM1NTRK1NTRK3NTRK2
SCHEMBL456223 0.82 TTK (0.51) TTK
SCHEMBL469994 0.82 FYN (0.47) TTKPIM1FYN
SCHEMBL459313 0.80 TTK (0.47) TTK
SCHEMBL456264 0.79 TTK (0.51) TTKPIM1FYN
SCHEMBL456699 0.79 TTK (0.61) TTK
SCHEMBL470169 0.79 TTK (0.45) TTKFYN
SCHEMBL456811 0.77 TTK (0.53) TTKPIM1FYN

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 4/4885PIM1 116/4885LRRK2 1096/4885

“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.