SCHEMBL1428563

SCHEMBL1428563

c1coc(-c2nc(C3CCNCC3)n[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.44
HPGD P15428 7/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
FYN P06241 2/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 5/20 0.39
APOBEC3G Q9HC16 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PDPK1 O15530 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PLAT P00750 1/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 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
Hydrochloric Acid SCHEMBL1428738 0.99 ALPL (0.43) ALPLHPGDLMNARAB9ACYP1A2
Hydrochloric Acid SCHEMBL3716283 0.99 ALPL (0.43) ALPLHPGDLMNARAB9ACYP1A2
SCHEMBL1428165 0.76 NR1H2 (0.47) ALPLLMNARAB9ACYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL15310455 0.75 NR1H2 (0.46) ALPLLMNARAB9ACYP1A2ALDH1A1
SCHEMBL1429264 0.73 HTR1A (0.35) ALPLRAB9AHSD17B10TDP1L3MBTL1
SCHEMBL1428662 0.72 KMT2A (0.35) POLBMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL3710166 0.72 HTR1A (0.35) ALPLRAB9AHSD17B10TDP1L3MBTL1
Hydrochloric Acid SCHEMBL27796360 0.72 HTR1A (0.35) ALPLRAB9AHSD17B10TDP1L3MBTL1
SCHEMBL1428575 0.72 MKNK1 (0.52) MAPK14
SCHEMBL13257284 0.71 KMT2A (0.44) RAB9ACYP1A2ALDH1A1CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9387204-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-12 US disclosed
US-20140088110-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-8614218-B2 Fused bicyclic pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-24 US disclosed
US-8592591-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US disclosed
US-20130310362-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2013-11-21 US disclosed
EP-2396331-B1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER IP GMBH (DE) 2013-10-16 EP disclosed
CN-101778851-B Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG 2013-05-08 CN disclosed
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP disclosed
EP-2176259-B1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AG (DE) 2011-03-30 EP disclosed
WO-2010091824-A1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
US-7776864-B2 Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG (DE) 2010-08-17 US disclosed
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-07-22 US disclosed
CN-101778851-A Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG 2010-07-14 CN disclosed
EP-2176259-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-21 EP disclosed
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 US disclosed
WO-2009021990-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 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 (5 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-20140088110-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 ALPL 4427/4885HPGD 4453/4885LMNA 4312/4885
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR ALPL 4673/4885HPGD 3694/4885LMNA 4281/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR ALPL 4673/4885HPGD 3694/4885LMNA 4281/4885
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 ALPL 4427/4885HPGD 4453/4885LMNA 4312/4885
US-20130310362-A1 FUSED PYRIMIDINES PIK3CA, MTOR, PIK3CD ALPL 4644/4885HPGD 2689/4885LMNA 4461/4885

“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.