SCHEMBL2968149

SCHEMBL2968149

CCc1nc2nc(Cl)c(-c3ccccc3)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
MAPT P10636 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
PKM P14618 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
USP2 O75604 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.36
RECQL P46063 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
SCHEMBL361914 0.82 KDM4E (0.46) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL8012335 0.78 MAP4K4 (0.55) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL362526 0.78 KMT2A (0.40) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL3706282 0.77 ALDH1A1 (0.50) HPGDMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2967067 0.77 AKT1 (0.45) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL2977408 0.74 MAP4K4 (0.61) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL2964035 0.71 ALDH1A1 (0.43) HPGDKDM4EALDH1A1PKMTP53
SCHEMBL867191 0.70 SRC (0.39) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL8912927 0.69 KDM4E (0.45) HPGDMAPTNPC1RAB9AKDM4E
SCHEMBL2964666 0.68 RAB9A (0.48) HPGDMAPTNPC1RAB9AKDM4E

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 10 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-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
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP 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 (3 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 HPGD 3694/4885MAPT 616/4885NPC1 2570/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS HPGD 1880/4885MAPT 393/4885NPC1 1403/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR HPGD 3694/4885MAPT 616/4885NPC1 2570/4885

“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.