SCHEMBL3615467

SCHEMBL3615467

O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.88

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.88
ROCK1 Q13464 3/20 0.78
PRKACA P17612 2/20 0.78
MEN1 O00255 4/20 0.77
RORC P51449 2/20 0.71
WNT3A P56704 2/20 0.69
RAB9A P51151 2/20 0.65
ELOVL1 Q9BW60 1/20 0.64
NPC1 O15118 1/20 0.62
LMNA P02545 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MGAM O43451 1/20 0.62
GAA P10253 1/20 0.62
SI P14410 1/20 0.62
MGAM2 Q2M2H8 1/20 0.62
MAPK1 P28482 1/20 0.61

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
SCHEMBL14102667 0.94 KMT2A (1.00) KMT2AROCK1PRKACAMEN1WNT3A
SCHEMBL13357346 0.88 ROCK1 (1.00) KMT2AROCK1PRKACAMEN1WNT3A
SCHEMBL13357345 0.88 WNT3A (0.83) KMT2AROCK1PRKACAMEN1RORC
SCHEMBL436404 0.84 KMT2A (0.73) KMT2AROCK1PRKACAMEN1WNT3A
SCHEMBL4265795 0.83 LMNA (0.64) KMT2AROCK1PRKACAMEN1RAB9A
SCHEMBL14102574 0.83 LMNA (0.67) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL1726157 0.82 WNT3A (1.00) KMT2AROCK1PRKACAMEN1WNT3A
SCHEMBL3603577 0.81 MEN1 (0.67) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL14102962 0.81 KMT2A (0.77) KMT2AROCK1PRKACAMEN1WNT3A
SCHEMBL13213633 0.81 KMT2A (0.76) KMT2AROCK1PRKACAMEN1WNT3A

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 11 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
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 (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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 KMT2A 2486/4885ROCK1 102/4885PRKACA 81/4885
US-20120122870-A1 Treatment Of Ischemia-Reperfusion Injury SPHK1, SPHK2, S1PR2 KMT2A 4046/4885ROCK1 28/4885PRKACA 1087/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 KMT2A 2406/4885ROCK1 93/4885PRKACA 92/4885

“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.