SCHEMBL566588

SCHEMBL566588

N#Cc1ccc2cn(C(=O)O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
PIN1 Q13526 1/20 0.40
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
CYP2A6 P11509 1/20 0.37
NCEH1 Q6PIU2 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCR9 P51686 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
SCHEMBL566549 0.77 GPR119 (0.42) NCEH1CCR9
SCHEMBL20024370 0.73 CYP2A6 (0.41) F2PLGPLAUKLKB1PRSS1
SCHEMBL22636557 0.73 MEN1 (0.43) CA1CA2ALDH1A1TSHRHSD17B10
SCHEMBL2144734 0.72 MCL1 (0.42) CYP2A6NCEH1ALDH1A1KDM4EGLA
SCHEMBL1344485 0.71 CYP2A6 (0.54) F2PLGPLAUKLKB1PRSS1
SCHEMBL29489119 0.71 CYP2A6 (0.54) F2PLGPLAUKLKB1PRSS1
SCHEMBL3561878 0.70 PLAU (0.54) F2PLGPLAUKLKB1PRSS1
SCHEMBL1857409 0.69 CA2 (0.36) CA1CA2ALDH1A1TSHRHTT
SCHEMBL2075524 0.69 ALDH1A1 (0.38) CYP2A6ALDH1A1KDM4EGLAHPGD
SCHEMBL3560794 0.69 SLC22A12 (0.51) F2PLGPLAUKLKB1PRSS1

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
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
US-10125144-B2 Rho kinase inhibitors KADMON CORPORATION, LLC (US) 2018-11-13 US disclosed
US-20160237095-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC 2016-08-18 US disclosed
EP-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 EP disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 WO disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 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 (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-20160237095-A1 RHO KINASE INHIBITORS ROCK2, ROCK1, RHOA F2 4617/4885PLG 3951/4885PLAU 3870/4885
US-10125144-B2 Rho kinase inhibitors ROCK2, ROCK1, RHOA F2 4617/4885PLG 3951/4885PLAU 3870/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 F2 3851/4885PLG 1992/4885PLAU 3144/4885

“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.