SCHEMBL3716581

SCHEMBL3716581

Nc1ncnc(Br)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TNK2 Q07912 2/20 0.47
IKBKB O14920 1/20 0.45
ADK P55263 3/20 0.43
MAP4K4 O95819 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
PI4KA P42356 3/20 0.41
PI4K2B Q8TCG2 3/20 0.41
PI4K2A Q9BTU6 3/20 0.41
PI4KB Q9UBF8 3/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41

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
SCHEMBL3719157 0.85 MAPK1 (0.44) MAPK1KDM4EMAPTTDP1L3MBTL1
SCHEMBL2971844 0.71 TNK2 (0.70) MAPK1KDM4EMAPTTDP1L3MBTL1
SCHEMBL3712907 0.69 KDM4E (0.56) MAPK1KDM4EMAPTTDP1L3MBTL1
SCHEMBL14241118 0.69 NUDT14 (0.56) MAPK1KDM4EMAPTTDP1L3MBTL1
SCHEMBL14013995 0.69 TNK2 (0.67) MAPK1KDM4EMAPTTDP1L3MBTL1
SCHEMBL6293445 0.68 EDNRB (0.46) MAPK1TNK2IKBKBADKMAP4K4
SCHEMBL17003300 0.67 ALDH1A1 (0.40) MAPK1MAPTIKBKBADKKDR
SCHEMBL21218876 0.67 IKBKB (0.41) TNK2IKBKBADKMAP4K4ASIC3
SCHEMBL19462191 0.67 PRKACA (0.44) MAPK1KDM4EMAPTTDP1L3MBTL1
SCHEMBL3647539 0.65 ADK (0.46) MAPK1MAPTIKBKBADKMAP4K4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310362-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIEGESELLSCHAFT (DE) 2013-11-21 US disclosed
EP-2396331-B1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER IP GMBH (DE) 2013-10-16 EP disclosed
EP-2396331-A1 FUSED PYRIMIDINES AS AKT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091824-A1 FUSED PYRIMIDINES AS AKT INHIBITORS 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-20130310362-A1 FUSED PYRIMIDINES PIK3CA, MTOR, PIK3CD MAPK1 54/4885KDM4E 3171/4885MAPT 475/4885

“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.