SCHEMBL87133

SCHEMBL87133

CC(C)(C)OC(=O)Nc1cccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
KAT6A Q92794 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
NAMPT P43490 1/20 0.38
POLB P06746 2/20 0.38
BRD4 O60885 2/20 0.37
CYP17A1 P05093 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CREBBP Q92793 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL86701 0.87 POLB (0.48) PRMT5WDR77POLBTDP1MEN1
SCHEMBL86840 0.80 SMN1; SMN2 (0.41) PRMT5WDR77HDAC1MEN1NPC1
SCHEMBL87099 0.76 PTAFR (0.44) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL86683 0.75 PTAFR (0.56) POLBMEN1KMT2APTAFR
SCHEMBL86842 0.75 MEN1 (0.39) HDAC1HDAC8POLBTDP1MEN1
SCHEMBL87126 0.74 KCNK3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL86968 0.74 ALDH1A1 (0.41) POLBMEN1NPC1RAB9AKMT2A
SCHEMBL86942 0.74 NPC1 (0.44) RXFP1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL80801 0.74 HDAC1 (0.44) HDAC3HDAC1HDAC2MEN1NPC1
SCHEMBL31396764 0.73 KMT2A (0.59) PRMT5WDR77KAT6AHDAC3HDAC1

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 PRMT5 931/4885WDR77 2590/4885KAT6A 3707/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PRMT5 4648/4885WDR77 2388/4885KAT6A 2684/4885

“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.