SCHEMBL1202802

SCHEMBL1202802

c1ccc(-c2ccnn3ccnc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.45
CCNE1 P24864 1/20 0.45
KDR P35968 4/20 0.44
BMP4 P12644 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
ADRA2A P08913 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
CCNA2 P20248 3/20 0.41
ALDH1A2 O94788 1/20 0.39
ALDH1A3 P47895 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
EED O75530 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK1 P23458 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37

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
SCHEMBL15473570 0.84 CYP17A1 (0.46) CDK2KDRBMP4CCNA2ALDH1A3
SCHEMBL12970192 0.84 CCNE1 (0.47) CDK2CCNE1BMP4IRAK4RPS6KA3
SCHEMBL2591159 0.82 CYP17A1 (0.51) KDRBMP4ADRA2AADRA1DADRA1A
SCHEMBL5354714 0.80 ALOX15 (0.53) KDRBMP4MEN1NPC1RAB9A
SCHEMBL19305220 0.79 ADORA2A (0.44) KDRBMP4MEN1NPC1RAB9A
SCHEMBL3357416 0.79 BMP4 (0.39) CDK2KDRBMP4IRAK4JAK1
SCHEMBL7112314 0.78 KDR (0.59) CDK2KDRBMP4IRAK4MEN1
SCHEMBL15473727 0.76 KDR (0.54) KDRALDH1A3MEN1RAB9AKMT2A
SCHEMBL530189 0.74 CDK2 (0.40) CDK2CCNE1KDRIRAK4ADRA2A
SCHEMBL4672079 0.73 ALDH1A3 (0.54) CDK2CCNE1KDRIRAK4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180212-B2 β-amyloid plaque imaging agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-11-10 US disclosed
EP-2694510-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-02-12 EP disclosed
US-20130315826-A1 Beta-Amyloid Plaque Imaging Agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-11-28 US disclosed
WO-2012136776-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-11 WO disclosed
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 US disclosed
EP-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 EP disclosed
US-7737183-B2 β-amyloid and neurofibrillary tangle imaging agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-15 US disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 WO disclosed
US-20090004107-A1 BETA-AMYLOID AND NEUROFIBRILLARY TANGLE IMAGING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-01-01 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-20130315826-A1 Beta-Amyloid Plaque Imaging Agents APP, SLC6A2, BACE1 CDK2 4659/4885CCNE1 4417/4885KDR 1743/4885
US-20090004107-A1 BETA-AMYLOID AND NEUROFIBRILLARY TANGLE IMAGING AGENTS APP, PSEN1, PSEN2 CDK2 3372/4885CCNE1 2340/4885KDR 1211/4885
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 CDK2 54/4885CCNE1 290/4885KDR 479/4885

“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.