SCHEMBL87013

SCHEMBL87013

O=C(NC1=Nc2ccccc2C2=NCCN12)c1csc(-c2ccncc2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.52
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
TLR7 Q9NYK1 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 2/20 0.44
IDE P14735 1/20 0.43
MAPK10 P53779 1/20 0.43
ROCK2 O75116 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL87061 0.91 IRAK4 (0.56) CHEK1MAPTTLR7MAPK1ROCK2
SCHEMBL87019 0.81 HTT (0.43) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL86728 0.81 L3MBTL1 (0.43) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL86883 0.80 ALDH1A1 (0.47) MAPTMEN1KMT2A
SCHEMBL86754 0.79 ALDH1A1 (0.48) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL86661 0.77 MAPT (0.48) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL86665 0.76 CASP3 (0.42) MAPTTDP1
SCHEMBL86871 0.76 PIK3CB (0.46) MAPTMEN1KMT2AMAPK1NPSR1
SCHEMBL86615 0.75 TYK2 (0.38) MAPTKMT2ATDP1ATML3MBTL1
SCHEMBL87313 0.74 EPHX2 (0.44) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 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 (2 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 CHEK1 317/4885MAPT 2333/4885LMNA 4764/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 CHEK1 68/4885MAPT 3803/4885LMNA 1290/4885

“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.