SCHEMBL82510

SCHEMBL82510

O=C(NC1=Nc2ccccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
PTAFR P25105 1/20 0.43

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
Hydrochloric Acid SCHEMBL80801 0.99 HDAC1 (0.44) HDAC1HDAC3HDAC2NPC1RAB9A
SCHEMBL86871 0.88 PIK3CB (0.46) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL87019 0.87 HTT (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL86981 0.87 HDAC1 (0.41) HDAC1HDAC3HDAC2NPC1RAB9A
SCHEMBL83418 0.87 HDAC1 (0.44) HDAC1HDAC3HDAC2NPC1RAB9A
SCHEMBL80988 0.86 GAA (0.47) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL86916 0.86 HDAC1 (0.44) HDAC1HDAC3NPC1RAB9AMEN1
SCHEMBL86810 0.86 KCNMA1 (0.48) HDAC1NPC1RAB9AMEN1KMT2A
SCHEMBL86934 0.86 MEN1 (0.48) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL86585 0.86 TDP1 (0.46) HDAC1NPC1RAB9AMEN1KMT2A

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 20 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
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
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
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
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
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
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP disclosed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 US disclosed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 EP disclosed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 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 (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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 HDAC1 2079/4885HDAC3 2052/4885HDAC2 1514/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HDAC1 699/4885HDAC3 965/4885HDAC2 1246/4885
US-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG HDAC1 1919/4885HDAC3 1702/4885HDAC2 1503/4885

“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.