SCHEMBL3704571

SCHEMBL3704571

CC(C)Nc1c(-c2ccccc2)c(Cl)nc2nc(-c3ccccn3)nn12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.58
AKT2 P31751 9/20 0.58
MAPT P10636 3/20 0.43
HTT P42858 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 2/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
METAP1 P53582 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KLKB1 P03952 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
SCHEMBL3702794 0.89 AKT1 (0.56) AKT1AKT2HTTLMNASMN1; SMN2
SCHEMBL362037 0.86 AKT1 (0.46) AKT1AKT2HTTLMNASMN1; SMN2
SCHEMBL364249 0.82 AKT1 (0.43) AKT1AKT2MAPTMITFLMNA
SCHEMBL361456 0.81 AKT1 (0.46) AKT1AKT2MAPTHTTLMNA
SCHEMBL3800463 0.80 AKT1 (0.60) AKT1AKT2MAPTHTTTRPM8
SCHEMBL3702792 0.77 AKT1 (0.42) AKT1AKT2MAPTLMNASMN1; SMN2
SCHEMBL3710979 0.70 RAB9A (0.40) AKT1AKT2MAPTHTTMITF
SCHEMBL6479851 0.67 MAPK14 (0.36) MAPTLMNAL3MBTL1LIMK1LIMK2
SCHEMBL2964515 0.65 AKT1 (0.46) AKT1AKT2MAPTSMN1; SMN2KDM4E
SCHEMBL11031559 0.64 KDM4E (0.44) MAPTLMNASMN1; SMN2L3MBTL1CYP1A2

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 9 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-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS AKT1 5/4885AKT2 4/4885MAPT 393/4885

“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.