SCHEMBL362977

SCHEMBL362977

Clc1nc2nccn2cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 7/20 0.51
HPGD P15428 4/20 0.51
GLA P06280 2/20 0.51
HSD17B10 Q99714 2/20 0.51
RAB9A P51151 7/20 0.44
GAA P10253 3/20 0.44
AKT1 P31749 5/20 0.42
AKT2 P31751 5/20 0.42
NPC1 O15118 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A2 O94788 2/20 0.38
ALDH1A3 P47895 2/20 0.38
POLB P06746 2/20 0.38
GFER P55789 1/20 0.38
DYRK1A Q13627 1/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3706575 0.84 AKT1 (0.43) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL15116245 0.80 FLT1 (0.39) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL3702134 0.80 AKT1 (0.40) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL361884 0.74 AKT1 (0.41) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL18037223 0.74 GRM5 (0.47) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL13256556 0.73 AKT1 (0.56) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL2977680 0.72 AKT1 (0.48) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL867191 0.71 SRC (0.39) ALDH1A1KDM4EHPGDRAB9AGAA
SCHEMBL15688194 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGLAHSD17B10
SCHEMBL2964244 0.70 AKT1 (0.46) ALDH1A1KDM4EHPGDGLAHSD17B10

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-8614218-B2 Fused bicyclic pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-24 US disclosed
US-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
EP-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
WO-2010091808-A1 FUSED PYRIMIDINES 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
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

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-20130184273-A1 BICYCLIC PYRIMIDINES PIK3CA, TYMS, PIK3CD ALDH1A1 1872/4885KDM4E 2817/4885HPGD 1527/4885
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR ALDH1A1 3182/4885KDM4E 3173/4885HPGD 3694/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS ALDH1A1 3442/4885KDM4E 3716/4885HPGD 1880/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR ALDH1A1 3182/4885KDM4E 3173/4885HPGD 3694/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB ALDH1A1 3392/4885KDM4E 1502/4885HPGD 3890/4885

“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.