SCHEMBL457727

SCHEMBL457727

CC(C)(O)CNc1cc(Sc2ccccc2)nn2c(-c3ccc(C=O)cc3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 12/20 0.44
PIM1 P11309 1/20 0.35
ERN1 O75460 1/20 0.32
DYRK1A Q13627 3/20 0.31
DYRK2 Q92630 3/20 0.31
DYRK1B Q9Y463 3/20 0.31
DYRK3 O43781 2/20 0.31
CCNT1 O60563 2/20 0.31
CDK9 P50750 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
EGLN2 Q96KS0 1/20 0.31
ALOX5 P09917 1/20 0.31
FYN P06241 1/20 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
SCHEMBL456226 0.91 TTK (0.41) TTKPIM1DYRK1ADYRK2DYRK1B
SCHEMBL458258 0.85 TTK (0.51) TTKPIM1FYN
SCHEMBL457290 0.82 TTK (0.43) TTKPIM1ERN1
SCHEMBL10279503 0.82 TTK (0.50) TTKPIM1FYN
SCHEMBL457048 0.81 TTK (0.54) TTK
SCHEMBL10279704 0.80 TTK (0.46) TTKFYN
SCHEMBL469993 0.79 FYN (0.49) TTKPIM1FYN
SCHEMBL455861 0.78 TTK (0.59) TTK
SCHEMBL456541 0.75 TTK (0.46) TTKPIM1EGLN2FYN
SCHEMBL470024 0.75 TTK (0.43) TTKPIM1DYRK1ADYRK2DYRK1B

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 116/4885ERN1 955/4885

“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.