SCHEMBL2948003

SCHEMBL2948003

CN(C)CCNc1cc(-c2cc3ccccc3o2)c2nccn2n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.55
PIM1 P11309 2/20 0.43
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F2RL3 Q96RI0 2/20 0.37
ADORA2A P29274 1/20 0.36
FYN P06241 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ADRA2A P08913 1/20 0.36
RET P07949 1/20 0.35

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
SCHEMBL2943232 0.83 MKNK1 (0.57) MKNK1PIM1KDM4EALDH1A1HSD17B10
SCHEMBL2947497 0.81 MKNK1 (0.46) MKNK1PIM1KDM4EALDH1A1ADORA2A
SCHEMBL2950868 0.81 MKNK1 (0.56) MKNK1PIM1F2RL3ADORA2AFYN
SCHEMBL2940430 0.81 MKNK1 (0.45) MKNK1KDM4EALDH1A1HSD17B10F2RL3
SCHEMBL4326841 0.77 PIM1 (0.67) MKNK1PIM1RET
SCHEMBL4691380 0.73 MKNK1 (0.64) MKNK1F2RL3FYN
SCHEMBL4595119 0.73 MKNK1 (0.56) MKNK1PIM1KDM4EALDH1A1HSD17B10
SCHEMBL3869341 0.73 CXCR1 (0.42) MKNK1F2RL3
SCHEMBL4595114 0.72 MKNK1 (0.50) MKNK1PIM1CYP2C19KDM4EALDH1A1
SCHEMBL2948001 0.71 MKNK1 (1.00) MKNK1FYN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO claimed
US-7750000-B2 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER SCHERING PHARMA AG (DE) 2010-07-06 US disclosed
WO-2008025822-A1 DIAZOLODIAZINE DERIVATIVES AS KINASE INHIBITORS CELLZOME LIMITED (GB) 2008-03-06 WO disclosed
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-04-26 US 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-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 MKNK1 144/4885PIM1 365/4885CYP2C19 2204/4885

“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.