SCHEMBL3222706

SCHEMBL3222706

C=CCOc1c(C)cc(C(=N)NO)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 5/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 2/20 0.32
GAA P10253 2/20 0.32
CXCR5 P32302 1/20 0.32

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
SCHEMBL3276278 0.90 MEN1 (0.42) MEN1KMT2AHSD17B10LMNANPSR1
SCHEMBL261761 0.90 SMN1; SMN2 (0.35) MEN1KMT2AHSD17B10LMNANPSR1
SCHEMBL3220714 0.84 HSD17B10 (0.55) MEN1KMT2AHSD17B10POLBLMNA
SCHEMBL262038 0.84 KDM4E (0.37) MEN1KMT2APOLBLMNAMAPT
SCHEMBL11304513 0.78 MCL1 (0.43) MEN1KMT2AHSD17B10POLBLMNA
SCHEMBL14327230 0.76 HSD17B10 (0.34) MEN1KMT2AHSD17B10POLBLMNA
SCHEMBL11300551 0.75 PLAU (0.35) LMNAHTT
SCHEMBL11295247 0.74 ACLY (0.36) KMT2AHSD17B10POLBLMNAMAPT
SCHEMBL2064624 0.71 PRSS1 (0.32) MAPTTSHRALDH1A1CYP3A4GAA
SCHEMBL1338680 0.71 HPGD (0.33) MAPTALDH1A1HPGDGAAKDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8580824-B2 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
US-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-11 US disclosed
EP-2069336-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
EP-2069335-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029370-A1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 WO disclosed
WO-2008029371-A1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2008-03-13 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-20100063108-A1 Pyridin-4-yl derivatives as immunomodulating agents CD4, FCGRT, IL2 MEN1 1188/4885KMT2A 2657/4885HSD17B10 4712/4885
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents CD4, FCGRT, CD47 MEN1 1182/4885KMT2A 2614/4885HSD17B10 4743/4885

“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.