SCHEMBL1232136

SCHEMBL1232136

Cc1ccc(C(=N)N)cc1I

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.67
PRSS2 P07478 2/20 0.67
PRSS3 P35030 2/20 0.67
KLK1 P06870 2/20 0.49
F2 P00734 3/20 0.47
C1S P09871 1/20 0.45
PLAU P00749 3/20 0.44
ST14 Q9Y5Y6 1/20 0.44
PLG P00747 1/20 0.44
KLKB1 P03952 1/20 0.44
F12 P00748 1/20 0.42
MTOR P42345 1/20 0.42
LMNA P02545 1/20 0.41
MASP2 O00187 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL8404520 0.80 PRSS1 (1.00) PRSS1PRSS2PRSS3KLK1F2
SCHEMBL1822999 0.79 PRSS1 (0.51) PRSS1PRSS2PRSS3KLK1F2
SCHEMBL29506358 0.79 MTOR (0.49) PRSS1PRSS2PRSS3MTORLMNA
SCHEMBL8262228 0.79 MTOR (0.42) PRSS1PRSS2PRSS3MTORLMNA
SCHEMBL1233265 0.79 MTOR (0.49) PRSS1PRSS2PRSS3MTORLMNA
Hydrochloric Acid SCHEMBL5118627 0.78 PRSS1 (0.95) PRSS1PRSS2PRSS3KLK1F2
SCHEMBL13650362 0.78 MTOR (0.41) PRSS1PRSS2PRSS3KLK1F2
SCHEMBL395482 0.77 PRSS1 (0.69) PRSS1PRSS2PRSS3KLK1F2
SCHEMBL12038105 0.76 MTOR (0.40) PRSS1PRSS2PRSS3F2PLAU
SCHEMBL12834788 0.75 PRSS1 (0.67) PRSS1PRSS2PRSS3KLK1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 US disclosed
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 US disclosed
US-8772288-B2 Substituted spiro[cycloalkyl-1,3′-indo]-2′(1′H)-one derivatives and their use as P38 mitogen-activated kinase inhibitors ALMIRALL, S.A. (ES) 2014-07-08 US disclosed
EP-2280943-B1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDO]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL SA (ES) 2013-11-06 EP disclosed
EP-2280943-B1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDO]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL SA (ES) 2013-11-06 EP disclosed
CN-102026972-A New substituted spiro[cycloalkyl-1,3'-indol]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors ALMIRALL SA 2011-04-20 CN disclosed
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 US disclosed
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 US disclosed
US-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS ALMIRALL, S.A. (ES) 2011-03-03 US disclosed
EP-2280943-A1 NEW SUBSTITUTED SPIROÝCYCLOALKYL-1,3'-INDOL¨-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. Almirall, S.A. (ES) 2011-02-09 EP disclosed
WO-2009124692-A1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. ALMIRALL, S.A. (ES) 2009-10-15 WO disclosed
WO-2009124692-A1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. ALMIRALL, S.A. (ES) 2009-10-15 WO disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 EP disclosed
EP-2108641-A1 New substituted spiro[cycloalkyl-1,3'-indo]-2'(1'H)-one derivatives and their use as p38 mitogen-activated kinase inhibitors Laboratorios Almirall, S.A. (ES) 2009-10-14 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 (1 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-20110053936-A1 SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS MAPK1, MAP3K1, MAP3K7 PRSS1 3219/4885PRSS2 3863/4885PRSS3 4466/4885

“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.