SCHEMBL455120

SCHEMBL455120

CC(C)(O)CNc1cc(Cl)nn2c(I)cnc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.36
ERN1 O75460 7/20 0.34
IRAK4 Q9NWZ3 4/20 0.33
PIM1 P11309 2/20 0.33
CDC7 O00311 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PI4KB Q9UBF8 5/20 0.31
PI4KA P42356 2/20 0.31

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
SCHEMBL458151 0.85 ERN1 (0.33) TTKERN1PI4KBPI4KA
SCHEMBL458421 0.84 TTK (0.36) TTKIRAK4PIM1
SCHEMBL31285448 0.79 TYK2 (0.34) ERN1
SCHEMBL462239 0.79 ERN1 (0.33) ERN1
SCHEMBL462238 0.79 ERN1 (0.33) ERN1
SCHEMBL456366 0.78 ERN1 (0.34) TTKERN1IRAK4
SCHEMBL10279505 0.78 ERN1 (0.32) ERN1
SCHEMBL10279254 0.75 ERN1 (0.32) ERN1
SCHEMBL458587 0.73 KDM4C (0.36) TTKERN1PI4KB
SCHEMBL459313 0.72 TTK (0.47) TTKERN1

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 4/4885ERN1 955/4885IRAK4 1002/4885

“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.