SCHEMBL2495570

SCHEMBL2495570

CCOC(=O)COc1ccc(Cl)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.50
PTGDR2 Q9Y5Y4 6/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL25575154 0.92 ALDH1A1 (0.49) ALDH1A1TDP1L3MBTL1GAACYP1A2
SCHEMBL14026543 0.87 PTGDR2 (0.45) ALDH1A1TDP1L3MBTL1PTGDR2CYP1A2
SCHEMBL14026553 0.86 NPC1 (0.50) ALDH1A1TDP1L3MBTL1GAAPTGDR2
SCHEMBL4574442 0.86 NPC1 (0.56) ALDH1A1TDP1GAAPTGDR2CYP1A2
SCHEMBL15074081 0.84 POLB (0.48) ALDH1A1L3MBTL1GAAPTGDR2CYP1A2
SCHEMBL13247320 0.83 TDP1 (0.49) ALDH1A1TDP1L3MBTL1GAAHSD17B10
SCHEMBL14045982 0.83 MRGPRX4 (0.46) ALDH1A1TDP1PTGDR2KDM4EMEN1
SCHEMBL6213275 0.83 NPC1 (0.47) PTGDR2CYP1A2CYP2C9HIF1AHSD17B10
SCHEMBL13946935 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1GAACYP1A2CYP2C9
SCHEMBL4595546 0.81 PTGDR2 (0.68) TDP1PTGDR2CYP2C9HPGDTSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040549-B1 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
US-8030321-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2011-10-04 US disclosed
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor CHAVEZ FRANK 2009-12-31 US disclosed
US-7576092-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
EP-2040549-A2 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-01 EP disclosed
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
WO-2008008359-A2 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 WO disclosed
EP-1776982-A1 Pyrimidine compounds as histamine modulators Argenta Discovery Limited (GB) 2007-04-25 EP disclosed
EP-1767537-A1 Pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-03-28 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 (3 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-20080269239-A1 Pyrimidine Compounds as Histamine Modulators HRH4, HRH3, HRH2 ALDH1A1 2638/4885TDP1 1569/4885L3MBTL1 3833/4885
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 ALDH1A1 2682/4885TDP1 3175/4885L3MBTL1 3018/4885
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 ALDH1A1 2682/4885TDP1 3175/4885L3MBTL1 3018/4885

“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.