SCHEMBL1054752

SCHEMBL1054752

c1cncc(CCNc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.72
PIK3R1 P27986 1/20 0.72
PIM1 P11309 2/20 0.68
MKNK1 Q9BUB5 5/20 0.53
FYN P06241 10/20 0.50
ABL1 P00519 2/20 0.49
NTRK1 P04629 2/20 0.49
NTRK3 Q16288 2/20 0.49
NTRK2 Q16620 2/20 0.49
CCNT1 O60563 1/20 0.49
PGK1 P00558 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CSNK1E P49674 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK9 P50750 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL2943040 0.87 PIK3CD (0.70) PIK3CDPIK3R1PIM1MKNK1FYN
SCHEMBL13234328 0.86 MKNK1 (0.61) PIK3CDPIK3R1PIM1MKNK1FYN
SCHEMBL2943291 0.86 FYN (0.69) PIK3CDPIK3R1PIM1MKNK1FYN
SCHEMBL2942575 0.85 PIM1 (0.66) PIK3CDPIK3R1PIM1MKNK1FYN
SCHEMBL2951018 0.85 MKNK1 (0.67) PIK3CDPIK3R1PIM1MKNK1FYN
SCHEMBL2945203 0.84 PIM1 (0.71) PIK3CDPIK3R1PIM1MKNK1FYN
SCHEMBL2949545 0.84 NTRK1 (0.68) PIK3CDPIK3R1PIM1MKNK1FYN
SCHEMBL13234372 0.84 PIM1 (0.74) PIK3CDPIK3R1PIM1MKNK1FYN
SCHEMBL2944865 0.84 FYN (0.69) PIK3CDPIK3R1PIM1MKNK1FYN
SCHEMBL2949374 0.84 MKNK1 (0.77) PIK3CDPIK3R1PIM1MKNK1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US claimed
EP-2818471-A1 Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP claimed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US claimed
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 US disclosed
EP-2818471-A1 Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP disclosed
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2011-01-27 US disclosed
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
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
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
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 (3 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-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY GCKR, GRK4, GRK5 PIK3CD 567/4885PIK3R1 780/4885PIM1 796/4885
US-20110021513-A1 MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE IRAK1, IRAK2, IRAK3 PIK3CD 505/4885PIK3R1 352/4885PIM1 147/4885
US-20070093490-A1 Substituted imidazo[1,2b]pyridazines as kinase inhibitors, their preparation and use as medicaments MAP4K2, MAP3K1, MAP3K2 PIK3CD 101/4885PIK3R1 410/4885PIM1 365/4885

“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.