SCHEMBL87158

SCHEMBL87158

O=C(NC1=Nc2ccc(N3CCOCC3)cc2C2=NCCN12)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
TP53 P04637 2/20 0.58
PLOD2 O00469 1/20 0.49
PLOD3 O60568 1/20 0.49
PLOD1 Q02809 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC1 Q13547 1/20 0.48
MAPT P10636 7/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GFER P55789 1/20 0.47
POLB P06746 3/20 0.46
GAA P10253 2/20 0.44
HTT P42858 3/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL86512 0.93 SMN1; SMN2 (0.58) SMN1; SMN2TP53PLOD2PLOD3PLOD1
SCHEMBL86958 0.84 HDAC1 (0.57) SMN1; SMN2TP53MEN1KMT2AHDAC1
SCHEMBL86981 0.84 HDAC1 (0.41) SMN1; SMN2TP53MEN1KMT2AHDAC1
SCHEMBL86585 0.83 TDP1 (0.46) SMN1; SMN2MEN1KMT2AHDAC1MAPT
SCHEMBL86644 0.83 GAA (0.47) SMN1; SMN2TP53KMT2AHDAC1MAPT
SCHEMBL86934 0.83 MEN1 (0.48) SMN1; SMN2TP53MEN1KMT2AMAPT
SCHEMBL86916 0.83 HDAC1 (0.44) SMN1; SMN2TP53MEN1KMT2AHDAC1
SCHEMBL82510 0.82 HDAC1 (0.45) SMN1; SMN2TP53MEN1KMT2AHDAC1
SCHEMBL86778 0.81 HDAC1 (0.53) SMN1; SMN2TP53HDAC1MAPTNPC1
SCHEMBL87418 0.81 RAB9A (0.48) SMN1; SMN2TP53MEN1KMT2AMAPT

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 SMN1; SMN2 3659/4885TP53 211/4885PLOD2 4206/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 SMN1; SMN2 1755/4885TP53 11/4885PLOD2 4363/4885

“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.