SCHEMBL12362289

SCHEMBL12362289

COc1ccc2c(c1C)N=C(N)N1CCN=C21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 6/20 0.41
HDAC8 Q9BY41 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
PTGS2 P35354 2/20 0.37
HDAC4 P56524 1/20 0.36
DNMT1 P26358 1/20 0.34
RAD52 P43351 1/20 0.34
UHRF1 Q96T88 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL2260955 0.82 PTAFR (0.44) PTAFRHDAC8CA1CA2CA4
SCHEMBL12362314 0.81 HDAC8 (0.39) PTAFRHDAC8CA1CA2CA4
SCHEMBL12362300 0.81 HDAC8 (0.37) PTAFRHDAC8CA1CA2CA4
SCHEMBL12362301 0.78 PTAFR (0.36) PTAFRHDAC8CA1CA2CA4
SCHEMBL12264975 0.77 HDAC8 (0.38) PTAFRHDAC8CA1CA2CA4
SCHEMBL18927873 0.75 PTAFR (0.36) PTAFRHDAC8CA1CA2CA4
SCHEMBL18928155 0.75 PTAFR (0.36) PTAFRHDAC8CA1CA2CA4
SCHEMBL1655758 0.74 PTAFR (0.41) PTAFR
SCHEMBL1655948 0.74 PTGS2 (0.35) PTAFRHDAC8CA1CA2CA4
SCHEMBL4539391 0.74 PTAFR (0.35) PTAFRHDAC8CA1CA2CA4

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 2 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-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

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 1026/4885HDAC8 1199/4885CA1 4704/4885

“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.