SCHEMBL86981

SCHEMBL86981

O=C(NC1=Nc2ccc(O)cc2C2=NCCN12)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
LMNA P02545 3/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNK3 O14649 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KCNMA1 Q12791 1/20 0.39

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
SCHEMBL83418 0.92 HDAC1 (0.44) HDAC1LMNAHIF1ASMN1; SMN2NPC1
SCHEMBL86644 0.91 GAA (0.47) HDAC1LMNAHIF1ASMN1; SMN2NPC1
SCHEMBL86934 0.89 MEN1 (0.48) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL86916 0.89 HDAC1 (0.44) HDAC1LMNAHIF1ASMN1; SMN2NPC1
SCHEMBL86585 0.89 TDP1 (0.46) HDAC1LMNAHIF1ASMN1; SMN2NPC1
SCHEMBL82510 0.87 HDAC1 (0.45) HDAC1LMNAHIF1ASMN1; SMN2NPC1
SCHEMBL86778 0.87 HDAC1 (0.53) HDAC1LMNAHIF1ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL80801 0.86 HDAC1 (0.44) HDAC1LMNAHIF1ASMN1; SMN2NPC1
SCHEMBL86814 0.86 TSHR (0.51) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL86589 0.86 HDAC1 (0.39) HDAC1LMNAHIF1ASMN1; SMN2NPC1

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 HDAC1 2079/4885LMNA 4764/4885HIF1A 1404/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HDAC1 699/4885LMNA 1290/4885HIF1A 1093/4885

“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.