SCHEMBL86794

SCHEMBL86794

CNC(=O)COc1ccc2c(c1OC)N=C(/C=C(\O)c1cccnc1)N1CCN=C21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
PKM P14618 2/20 0.35
HTT P42858 1/20 0.34
NOTUM Q6P988 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 2/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPT P10636 4/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PSMD14 O00487 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29475036 0.93 CYP1A1 (0.35) ALDH1A1POLBPKMHTTCYP3A4
SCHEMBL82967 0.93 CYP1A1 (0.35) ALDH1A1POLBPKMHTTCYP3A4
SCHEMBL82968 0.93 CYP1A1 (0.35) ALDH1A1POLBPKMHTTCYP3A4
SCHEMBL86391 0.92 ALDH1A1 (0.34) ALDH1A1POLBPKMHTTNOTUM
SCHEMBL86386 0.91 HTT (0.36) ALDH1A1POLBPKMHTTNOTUM
SCHEMBL82540 0.91 MEN1 (0.39) ALDH1A1POLBPKMHTTCYP3A4
SCHEMBL82541 0.91 MEN1 (0.39) ALDH1A1POLBPKMHTTCYP3A4
SCHEMBL29475065 0.91 MEN1 (0.39) ALDH1A1POLBPKMHTTCYP3A4
SCHEMBL86675 0.89 KMT2A (0.33) ALDH1A1POLBCYP3A4GAAKDM4E
SCHEMBL14041083 0.89 KMT2A (0.34) ALDH1A1POLBPKMHTTNOTUM

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 9 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-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
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 ALDH1A1 4300/4885POLB 1757/4885PKM 2135/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 ALDH1A1 798/4885POLB 1015/4885PKM 1252/4885

“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.