SCHEMBL1497572

SCHEMBL1497572

COc1c(OCCOCCN)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HDAC1 Q13547 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 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
SCHEMBL1497638 0.95 MAPT (0.39) MAPTCD274MAPK1ALDH1A1HDAC1
SCHEMBL12064247 0.93 MAPT (0.38) MAPTCD274MAPK1ALDH1A1HDAC1
SCHEMBL2257820 0.90 ALDH1A1 (0.37) MAPTMAPK1ALDH1A1SMN1; SMN2GAA
SCHEMBL2259956 0.89 ALDH1A1 (0.35) MAPTMAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL6730444 0.89 MAPT (0.39) MAPTMAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL2255864 0.89 MAPT (0.34) MAPTMAPK1ALDH1A1TSHRSMN1; SMN2
SCHEMBL1658265 0.88 MAPT (0.38) MAPTMAPK1ALDH1A1TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL1655457 0.88 CD274 (0.35) MAPTCD274MAPK1ALDH1A1HDAC1
Trifluoroacetic Acid SCHEMBL29475094 0.88 CD274 (0.35) MAPTCD274MAPK1ALDH1A1HDAC1
SCHEMBL1497858 0.88 TGM2 (0.36) MAPTMAPK1ALDH1A1SMN1; SMN2GAA

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-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
EP-2475375-A2 PI3 KINASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-07-18 EP disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 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
WO-2011031896-A2 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-03-17 WO 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 (2 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B MAPT 2636/4885CD274 3644/4885MAPK1 423/4885
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 MAPT 3498/4885CD274 4402/4885MAPK1 292/4885

“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.