SCHEMBL3603603

SCHEMBL3603603

CN(C)c1ccc(CNC(=O)c2nc(-c3ccc(Cl)cc3)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.61
▸ CACNA1G O43497 2/20 0.58
▸ CACNA1H O95180 2/20 0.58
▸ CACNA1I Q9P0X4 2/20 0.58
▸ ROCK2 O75116 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ MAPT P10636 6/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAOB P27338 1/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ ABL1 P00519 1/20 0.44

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
SCHEMBL3615619 0.84 ENPP2 (0.61) ENPP2ROCK2ROCK1MAPTNPC1
SCHEMBL3614360 0.83 ENPP2 (0.66) ENPP2ROCK2ROCK1MAPTNPC1
SCHEMBL3606071 0.82 ENPP2 (0.61) ENPP2ROCK2ROCK1MAPTMAOB
SCHEMBL3613478 0.81 ENPP2 (0.62) ENPP2CACNA1GCACNA1HCACNA1IROCK2
SCHEMBL3618001 0.81 ENPP2 (0.59) ENPP2ROCK2ROCK1MAPTNPC1
SCHEMBL3607656 0.80 ENPP2 (0.64) ENPP2CACNA1GCACNA1HCACNA1IROCK2
SCHEMBL3608947 0.80 ENPP2 (0.58) ENPP2ROCK2ROCK1MAPTHTT
SCHEMBL3614353 0.80 ENPP2 (0.60) ENPP2CACNA1GCACNA1HCACNA1IROCK2
SCHEMBL3608606 0.79 ENPP2 (0.59) ENPP2CACNA1GCACNA1HCACNA1IROCK2
SCHEMBL3613941 0.77 RHOC (0.60) ENPP2ROCK2ROCK1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US claimed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 — — EP claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 — — WO claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 — — WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 — — US claimed
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2012-05-17 — — US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 — — US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 — — US disclosed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 — — EP disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 — — WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 — — WO disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 — — US 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 (4 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 ENPP2 1076/4885CACNA1G 441/4885CACNA1H 660/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ENPP2 42/4885CACNA1G 4229/4885CACNA1H 4237/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 ENPP2 80/4885CACNA1G 3117/4885CACNA1H 2659/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ENPP2 42/4885CACNA1G 4164/4885CACNA1H 4204/4885

“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.

Send feedback