SCHEMBL86808

SCHEMBL86808

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
HTT P42858 2/20 0.37
F2 P00734 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MEN1 O00255 2/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
GPR183 P32249 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAPT P10636 2/20 0.34
NAMPT P43490 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
SCHEMBL82716 0.93 POLB (0.37) POLBTDP1HTTF2HDAC6
SCHEMBL86867 0.92 POLB (0.38) POLBTDP1HTTF2HDAC6
SCHEMBL86851 0.89 LMNA (0.38) POLBTDP1HTTF2KMT2A
SCHEMBL86813 0.89 TDP1 (0.44) POLBTDP1HTTF2HDAC6
SCHEMBL86899 0.89 HDAC3 (0.45) POLBTDP1HTTF2HDAC6
SCHEMBL82844 0.87 KMT2A (0.46) POLBTDP1HTTF2KMT2A
SCHEMBL86832 0.84 POLB (0.42) POLBTDP1HTTF2KMT2A
SCHEMBL81401 0.84 LMNA (0.38) POLBTDP1HTTF2HDAC6
SCHEMBL83367 0.84 NPC1 (0.43) POLBTDP1HTTF2HDAC6
SCHEMBL81415 0.82 MAPT (0.47) POLBTDP1HTTF2KMT2A

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 10 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

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 POLB 1757/4885TDP1 1233/4885HTT 2034/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 POLB 1015/4885TDP1 2149/4885HTT 3020/4885

“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.