SCHEMBL456811

SCHEMBL456811

CC(C)(O)CNc1cc(Oc2ccccc2)nn2c(-c3ccc(C4OCCO4)cc3)cnc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.53
PIM1 P11309 1/20 0.38
FYN P06241 1/20 0.35
ERN1 O75460 1/20 0.34

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
SCHEMBL470247 0.93 TTK (0.53) TTKFYNERN1
SCHEMBL470017 0.91 TTK (0.46) TTKPIM1
SCHEMBL456264 0.86 TTK (0.51) TTKPIM1FYNERN1
SCHEMBL457290 0.83 TTK (0.43) TTKPIM1ERN1
SCHEMBL459313 0.83 TTK (0.47) TTKERN1
SCHEMBL10279503 0.82 TTK (0.50) TTKPIM1FYN
SCHEMBL458247 0.81 TTK (0.61) TTK
SCHEMBL470169 0.80 TTK (0.45) TTKFYN
SCHEMBL469994 0.80 FYN (0.47) TTKPIM1FYN
SCHEMBL456263 0.77 TTK (0.45) TTKFYN

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 7 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

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 116/4885FYN 657/4885

“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.