SCHEMBL86669

SCHEMBL86669

O/C(=C\C1=Nc2cc(N3CCOCC3)ccc2C2=NCCN12)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.43
PLOD3 O60568 2/20 0.43
PLOD1 Q02809 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
RPS6KA3 P51812 2/20 0.37
RPS6KA2 Q15349 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
HDAC1 Q13547 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
KMO O15229 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL86442 0.89 RPS6KA3 (0.37) PLOD2PLOD3PLOD1RPS6KA3RPS6KA2
SCHEMBL14041032 0.88 PLOD2 (0.43) PLOD2PLOD3PLOD1SMN1; SMN2TP53
SCHEMBL82052 0.87 RPS6KA3 (0.35) PLOD2PLOD3PLOD1SMN1; SMN2TP53
SCHEMBL29475029 0.87 RPS6KA3 (0.35) PLOD2PLOD3PLOD1SMN1; SMN2TP53
SCHEMBL82051 0.87 RPS6KA3 (0.35) PLOD2PLOD3PLOD1SMN1; SMN2TP53
SCHEMBL86436 0.85 MAPT (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL86835 0.85 PTAFR (0.41) PLOD2PLOD3PLOD1SMN1; SMN2TP53
SCHEMBL87137 0.83 HDAC8 (0.40) SMN1; SMN2ALDH1A1PIK3CBPIK3CGLMNA
SCHEMBL86693 0.83 HDAC8 (0.40) TP53MEN1KMT2AALDH1A1MAPT
SCHEMBL86449 0.83 HDAC8 (0.40) ALDH1A1LMNAGPR6

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 PLOD2 4206/4885PLOD3 3296/4885PLOD1 4156/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 PLOD2 4363/4885PLOD3 2873/4885PLOD1 4122/4885

“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.