SCHEMBL2964666

SCHEMBL2964666

Cc1cc2nc(Cl)c(-c3ccccc3)cn2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.48
NPC1 O15118 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.36

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
SCHEMBL529936 0.79 AKT1 (0.52) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2972869 0.76 ALDH1A1 (0.52) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL361914 0.75 KDM4E (0.46) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2968326 0.74 AKT1 (0.39) RAB9ANPC1KDM4EALDH1A1AKT1
SCHEMBL2968231 0.73 AKT1 (0.45) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL238113 0.71 RAB9A (0.42) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12610618 0.70 RAB9A (0.77) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2971343 0.70 RAB9A (0.47) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL235881 0.70 RAB9A (0.48) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL866643 0.69 AKT1 (0.74) AKT1AKT2

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 15 patents. 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
EP-2188291-B1 FUSED BICYCLIC PYRIMIDINES Bayer Pharma AG (DE) 2012-09-19 EP disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US 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

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-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR RAB9A 1202/4885NPC1 2570/4885SMN1; SMN2 3025/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS RAB9A 933/4885NPC1 1403/4885SMN1; SMN2 1998/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR RAB9A 1202/4885NPC1 2570/4885SMN1; SMN2 3025/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB RAB9A 995/4885NPC1 1856/4885SMN1; SMN2 2936/4885

“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.