SCHEMBL2260955

SCHEMBL2260955

COc1cccc2c1N=C(N)N1CCN=C21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 6/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
DNMT1 P26358 1/20 0.41
RAD52 P43351 1/20 0.41
UHRF1 Q96T88 1/20 0.41
HDAC8 Q9BY41 6/20 0.39
HDAC4 P56524 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
HTR5A P47898 1/20 0.37
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL30512038 1.00 PTAFR (0.44) PTAFRSLC6A2SLC6A4SLC6A3DNMT1
SCHEMBL12362289 0.82 PTAFR (0.41) PTAFRSLC6A2SLC6A4SLC6A3DNMT1
SCHEMBL12765021 0.78 DNMT1 (0.44) PTAFRDNMT1RAD52UHRF1HDAC8
SCHEMBL12362314 0.77 HDAC8 (0.39) PTAFRDNMT1RAD52UHRF1HDAC8
SCHEMBL12264975 0.76 HDAC8 (0.38) PTAFRSLC6A2SLC6A4SLC6A3DNMT1
SCHEMBL29618249 0.75 PTAFR (0.37) PTAFRSLC6A2SLC6A4SLC6A3
SCHEMBL28378606 0.75 PTAFR (0.42) PTAFRDNMT1RAD52UHRF1HDAC8
SCHEMBL19328643 0.75 PTAFR (0.37) PTAFRSLC6A2SLC6A4SLC6A3
SCHEMBL86605 0.73 KDM4E (0.41) PTAFRSLC6A2SLC6A4SLC6A3
SCHEMBL1655758 0.73 PTAFR (0.41) PTAFR

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-8859572-B2 Sulfone substituted 2,3-dihydroimidazo [1,2-C] quinazoline derivatives useful for treating hyper-proliferative disorders and diseases with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-8859572-B2 Sulfone substituted 2,3-dihydroimidazo [1,2-C] quinazoline derivatives useful for treating hyper-proliferative disorders and diseases with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-8859572-B2 Sulfone substituted 2,3-dihydroimidazo [1,2-C] quinazoline derivatives useful for treating hyper-proliferative disorders and diseases with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-20110190281-A1 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
US-20110190281-A1 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-04 US disclosed
EP-2244721-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO Ý1,2-C¨QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS Bayer Schering Pharma AG (DE) 2010-11-03 EP disclosed
WO-2009091550-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2009-07-23 WO disclosed
WO-2009091550-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2009-07-23 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-20110190281-A1 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS PIK3CA, PIK3CD, PIK3CB PTAFR 1026/4885SLC6A2 3837/4885SLC6A4 3755/4885

“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.