SCHEMBL86899

SCHEMBL86899

O=C(NC1=Nc2ccc(F)cc2C2=NCCN12)c1ccc2[nH]cnc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
POLB P06746 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.37
F2 P00734 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
NAMPT P43490 3/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL86867 0.90 POLB (0.38) HDAC3POLBSMN1; SMN2HTTTDP1
SCHEMBL86851 0.89 LMNA (0.38) POLBSMN1; SMN2HTTTDP1F2
SCHEMBL86813 0.89 TDP1 (0.44) HDAC3POLBSMN1; SMN2HTTTDP1
SCHEMBL86808 0.89 POLB (0.37) HDAC3POLBSMN1; SMN2HTTTDP1
SCHEMBL82844 0.87 KMT2A (0.46) POLBSMN1; SMN2HTTTDP1F2
SCHEMBL86832 0.84 POLB (0.42) POLBHTTTDP1F2NPC1
SCHEMBL81415 0.84 MAPT (0.47) HDAC3POLBSMN1; SMN2HTTTDP1
SCHEMBL83367 0.84 NPC1 (0.43) HDAC3POLBSMN1; SMN2HTTTDP1
SCHEMBL81401 0.84 LMNA (0.38) HDAC3POLBSMN1; SMN2HTTTDP1
SCHEMBL82716 0.84 POLB (0.37) HDAC3POLBSMN1; SMN2HTTTDP1

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 HDAC3 2052/4885POLB 1757/4885SMN1; SMN2 3659/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 HDAC3 965/4885POLB 1015/4885SMN1; SMN2 1755/4885

“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.