SCHEMBL1429264

SCHEMBL1429264

c1cnc(-c2nc(C3CCNCC3)n[nH]2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.35
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
USP7 Q93009 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
ALPL P05186 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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 SCHEMBL27796360 0.98 HTR1A (0.35) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
Hydrochloric Acid SCHEMBL3710166 0.98 HTR1A (0.35) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL1137793 0.82 NPC1 (0.53) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
Hydrochloric Acid SCHEMBL1137764 0.81 NPC1 (0.51) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
Hydrochloric Acid SCHEMBL1429268 0.81 NPC1 (0.51) HTR1ASLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL1429178 0.79 ADORA2A (0.41) HTR1ASLC6A2SLC6A4SLC6A3HRH3
Hydrochloric Acid SCHEMBL1429519 0.78 ADORA2A (0.40) HRH3MKNK1MKNK2
Hydrochloric Acid SCHEMBL2964295 0.78 ADORA2A (0.40) HRH3MKNK1MKNK2
SCHEMBL1428165 0.77 NR1H2 (0.47) SLC18A3SIGMAR1MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL15310455 0.76 NR1H2 (0.46) SLC18A3SIGMAR1MEN1KMT2ANPC1

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 31 patents — showing the first 20. 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-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP 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
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 US disclosed
EP-2050748-A1 Novel fused pyrimidines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP disclosed
WO-2009021992-A2 FUSED BICYCLIC PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
WO-2009021990-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
US-20080287457-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-20 US disclosed
US-20080287457-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-20 US disclosed
US-20080287457-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-20 US disclosed
CN-101242834-A Inhibitors of AKT activity MERCK & CO INC (US) 2008-08-13 CN disclosed
EP-1827436-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-09-05 EP disclosed
WO-2006065601-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-06-22 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 (4 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-20080287457-A1 Inhibitors of Akt Activity AKT3, MTOR, STK3 HTR1A 3886/4885SLC6A2 1809/4885SLC6A4 1607/4885
US-20140088110-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 HTR1A 2865/4885SLC6A2 1777/4885SLC6A4 1397/4885
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR HTR1A 2896/4885SLC6A2 2349/4885SLC6A4 1687/4885
US-20130310362-A1 FUSED PYRIMIDINES PIK3CA, MTOR, PIK3CD HTR1A 1815/4885SLC6A2 1755/4885SLC6A4 1400/4885

“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.