SCHEMBL86661

SCHEMBL86661

O=C(NC1=Nc2ccccc2C2=NCCN12)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 4/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PTAFR P25105 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 4/20 0.41
GPR6 P46095 1/20 0.41
GFER P55789 1/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40

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 0.87 SMN1; SMN2 (0.46) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL86915 0.87 NPSR1 (0.50) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12533812 0.86 KMT2A (0.44) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL87162 0.86 MEN1 (0.44) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL87026 0.86 LMNA (0.47) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL87067 0.84 SRPK1 (0.49) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL87157 0.84 KMT2A (0.42) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL86803 0.83 KMT2A (0.49) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL87040 0.83 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL87015 0.83 POLB (0.44) MAPTMEN1KMT2ASMN1; SMN2LMNA

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 MAPT 2333/4885MEN1 2685/4885KMT2A 4598/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 MAPT 3803/4885MEN1 1133/4885KMT2A 1309/4885

“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.