SCHEMBL2967067

SCHEMBL2967067

CC(C)c1nc2nc(Cl)c(-c3ccccc3)cn2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.45
AKT2 P31751 6/20 0.45
KDM4E B2RXH2 5/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PKM P14618 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
USP2 O75604 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL361914 0.82 KDM4E (0.46) AKT1AKT2KDM4EMAPTALDH1A1
SCHEMBL362526 0.78 KMT2A (0.40) KDM4EMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL8012335 0.78 MAP4K4 (0.55) KDM4EMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL2968149 0.77 HPGD (0.41) AKT1AKT2KDM4EMAPTALDH1A1
SCHEMBL3706282 0.77 ALDH1A1 (0.50) AKT1AKT2KDM4EMAPTALDH1A1
SCHEMBL2970175 0.75 AKT1 (0.50) AKT1AKT2KDM4EMAPTALDH1A1
SCHEMBL867846 0.71 AKT1 (0.56) AKT1AKT2
SCHEMBL867191 0.70 SRC (0.39) KDM4EMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL8912927 0.69 KDM4E (0.45) KDM4EMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL2964666 0.68 RAB9A (0.48) AKT1AKT2KDM4EMAPTALDH1A1

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 AKT1 9/4885AKT2 4/4885KDM4E 3173/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS AKT1 5/4885AKT2 4/4885KDM4E 3716/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR AKT1 9/4885AKT2 4/4885KDM4E 3173/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB AKT1 11/4885AKT2 7/4885KDM4E 1502/4885

“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.