SCHEMBL1175355

SCHEMBL1175355

CC1(C)OCC(COc2ccc(C(=N)NO)cc2)O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.41
APP P05067 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
CA2 P00918 1/20 0.38
HTR7 P34969 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1175351 1.00 MAPK14 (0.41) MAPK14APPCCNKCDK12CA2
SCHEMBL3086717 0.86 MAPK14 (0.42) MAPK14APPCCNKCDK12CA2
SCHEMBL3086715 0.86 MAPK14 (0.42) MAPK14APPCCNKCDK12CA2
SCHEMBL4012285 0.82 L3MBTL1 (0.47) MAPK14CA2MAPTALDH1A1
SCHEMBL459792 0.81 HTR7 (0.38) MAPK14CCNKCDK12CA2HTR7
SCHEMBL1189730 0.81 HTR7 (0.38) MAPK14CCNKCDK12CA2HTR7
SCHEMBL459970 0.81 HTR7 (0.38) MAPK14CCNKCDK12CA2HTR7
SCHEMBL9149708 0.81 MAPT (0.50) MAPK14CA2TP53MAPTNPC1
SCHEMBL1175671 0.81 MAPK14 (0.41) MAPK14CCNKCDK12ALDH1A1
SCHEMBL1175673 0.81 MAPK14 (0.41) MAPK14CCNKCDK12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575200-B2 Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2013-11-05 US disclosed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP disclosed
US-8410151-B2 Aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2013-04-02 US disclosed
EP-2262782-B1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-04 EP disclosed
US-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-03 US disclosed
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-12-30 US disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO 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-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS IL2, FCGRT, CD4 MAPK14 2911/4885APP 4325/4885CCNK 796/4885
US-20110028449-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES CD47, BRD4, BRD3 MAPK14 3550/4885APP 4175/4885CCNK 874/4885

“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.