SCHEMBL2978745

SCHEMBL2978745

Cc1c(-c2ccccc2)c(-c2ccc(C=O)cc2)nc2nccn12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 4/20 0.40
ADORA2A P29274 3/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NTRK1 P04629 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AKT1 P31749 2/20 0.38
AKT2 P31751 2/20 0.38
TP53 P04637 1/20 0.36
ROCK2 O75116 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3B P49841 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TNK2 Q07912 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
SCHEMBL2978431 0.85 AKT1 (0.49) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL3808855 0.82 AKT1 (0.51) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL3708083 0.81 ADORA2A (0.51) ALDH1A1ADORA2ARAB9ANPC1TNK2
SCHEMBL2972057 0.78 KMT2A (0.46) MAPTALDH1A1KDM4EHPGDRAB9A
SCHEMBL1428218 0.76 AKT1 (0.62) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL2970268 0.74 ADORA2A (0.41) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL2978903 0.73 MAPT (0.42) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL2977680 0.72 AKT1 (0.48) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL18104259 0.71 MAPT (0.63) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL13256347 0.71 KMT2A (0.40) MAPTALDH1A1KDM4EHPGDADORA2A

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
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-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US 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
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 (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 616/4885ALDH1A1 3182/4885KDM4E 3173/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS MAPT 393/4885ALDH1A1 3442/4885KDM4E 3716/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR MAPT 616/4885ALDH1A1 3182/4885KDM4E 3173/4885

“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.