SCHEMBL2979524

SCHEMBL2979524

Cc1nc2nc(Cl)c(-c3ccccc3)c(C)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
AKT1 P31749 2/20 0.41
AKT2 P31751 2/20 0.41
ALDH1A1 P00352 5/20 0.41
SLC16A3 O15427 2/20 0.41
PKM P14618 1/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
HCRTR1 O43613 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 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
SCHEMBL361527 0.89 MAPT (0.38) MAPTKMT2ANPSR1USP2AKT1
SCHEMBL2964739 0.83 SLC16A3 (0.37) MAPTKMT2ANPSR1USP2AKT1
SCHEMBL2979080 0.82 MAPT (0.48) MAPTKMT2ANPSR1USP2AKT1
SCHEMBL361456 0.81 AKT1 (0.46) MAPTKMT2ANPSR1USP2AKT1
SCHEMBL14375957 0.78 KDM4E (0.54) MAPTUSP2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31504610 0.76 L3MBTL1 (0.54) MAPTKMT2ANPSR1AKT2ALDH1A1
SCHEMBL2972057 0.73 KMT2A (0.46) MAPTKMT2ANPSR1USP2AKT1
SCHEMBL360770 0.72 MAPT (0.41) MAPTKMT2ANPSR1USP2ALDH1A1
SCHEMBL13225458 0.72 PDE10A (0.41) MAPTKMT2ANPSR1ALDH1A1KDM4E
SCHEMBL3709192 0.72 L3MBTL1 (0.45) MAPTALDH1A1KDM4ELMNAHPGD

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 MAPT 616/4885KMT2A 3129/4885NPSR1 2883/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS MAPT 393/4885KMT2A 3814/4885NPSR1 1379/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR MAPT 616/4885KMT2A 3129/4885NPSR1 2883/4885

“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.