SCHEMBL86803

SCHEMBL86803

COc1cc2c(cc1OC)C1=NCCN1C(NC(=O)c1cccs1)=N2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.47
RAB9A P51151 3/20 0.46
APLNR P35414 1/20 0.46
MEN1 O00255 6/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
PKM P14618 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
SCHEMBL86896 0.84 SMN1; SMN2 (0.46) KMT2AMAPTSMN1; SMN2GAARAB9A
SCHEMBL87157 0.83 KMT2A (0.42) KMT2AMAPTSMN1; SMN2GAARAB9A
SCHEMBL86661 0.83 MAPT (0.48) KMT2AMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL86774 0.83 PTAFR (0.38) KMT2AMAPTSMN1; SMN2GAAMEN1
SCHEMBL87162 0.83 MEN1 (0.44) KMT2AMAPTSMN1; SMN2GAARAB9A
SCHEMBL12533812 0.83 KMT2A (0.44) KMT2AMAPTSMN1; SMN2GAARAB9A
SCHEMBL87026 0.83 LMNA (0.47) KMT2AMAPTSMN1; SMN2GAARAB9A
SCHEMBL86915 0.82 NPSR1 (0.50) KMT2AMAPTSMN1; SMN2GAARAB9A
SCHEMBL86984 0.80 KDM4E (0.48) KMT2AMAPTSMN1; SMN2GAARAB9A
SCHEMBL86908 0.80 KMT2A (0.36) KMT2AMAPTSMN1; SMN2GAAMEN1

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 KMT2A 4598/4885MAPT 2333/4885SMN1; SMN2 3659/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 KMT2A 1309/4885MAPT 3803/4885SMN1; 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.