SCHEMBL87388

SCHEMBL87388

O=C(NC1=Nc2ccccc2C2=NCCN12)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ROCK1 Q13464 2/20 0.43
HTT P42858 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
HDAC1 Q13547 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
ADH5 P11766 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HDAC4 P56524 1/20 0.39
ROCK2 O75116 1/20 0.38
TAOK1 Q7L7X3 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
SCHEMBL86716 0.89 AOC2 (0.41) MAPTHDAC1KMT2ATDP1HDAC4
SCHEMBL87019 0.84 HTT (0.43) MAPTL3MBTL1HTTKMT2ATDP1
SCHEMBL87394 0.83 HRH3 (0.38) MAPTHTR2ADRD2DRD3HDAC4
SCHEMBL86871 0.83 PIK3CB (0.46) MAPTHTTKMT2AHDAC4
SCHEMBL86842 0.82 MEN1 (0.39) MAPTL3MBTL1HDAC1KMT2ATDP1
SCHEMBL12533693 0.81 DNMT1 (0.36) MAPTKMT2AGSK3B
SCHEMBL87360 0.81 TDP1 (0.44) MAPTHTTCYP3A4KMT2ATDP1
SCHEMBL86942 0.81 NPC1 (0.44) MAPTCYP3A4KMT2ADRD2
SCHEMBL87099 0.81 PTAFR (0.44) MAPTL3MBTL1KMT2ADRD2
SCHEMBL87383 0.80 NPC1 (0.51) KMT2AGSK3B

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 MAPT 2333/4885L3MBTL1 3991/4885ROCK1 206/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MAPT 3803/4885L3MBTL1 3744/4885ROCK1 3704/4885

“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.