SCHEMBL1875379

SCHEMBL1875379

N#Cc1cc(-c2nnc(N)s2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.50
MGAM O43451 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NOTUM Q6P988 1/20 0.50
S1PR1 P21453 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PIM1 P11309 3/20 0.44
PIM3 Q86V86 3/20 0.44
PIM2 Q9P1W9 3/20 0.44
QPCT Q16769 4/20 0.44
QPCTL Q9NXS2 3/20 0.44
HPGD P15428 2/20 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
SCHEMBL1873300 0.83 S1PR1 (0.48) S1PR1BLMWRN
SCHEMBL19507960 0.82 S1PR1 (0.53) S1PR1BLMWRN
SCHEMBL12669366 0.82 S1PR1 (0.47) S1PR1BLMWRN
SCHEMBL8146277 0.80 KDM4E (0.62) KDM4EALDH1A1MGAMGAASI
SCHEMBL2115714 0.75 XDH (0.56) KDM4ES1PR1SMN1; SMN2HPGDNPC1
SCHEMBL1293371 0.75 S1PR1 (0.54) KDM4EALDH1A1MGAMGAASI
SCHEMBL11326673 0.74 KDM4E (0.59) KDM4EALDH1A1MGAMGAASI
SCHEMBL8966489 0.72 KDM4E (0.59) KDM4EALDH1A1MGAMGAASI
SCHEMBL21497154 0.72 CYP11B1 (0.49) ALDH1A1
SCHEMBL1874904 0.72 SNCA (0.51) S1PR1BLMWRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2706999-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2019-08-28 EP disclosed
EP-2706999-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2019-08-28 EP disclosed
EP-2498609-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2018-04-18 EP disclosed
EP-2498609-B1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2018-04-18 EP disclosed
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 WO disclosed
WO-2012158550-A9 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2017-10-26 WO disclosed
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-9481659-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2016-11-01 US disclosed
US-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2015-10-22 US disclosed
US-8507538-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators RECEPTOS, INC. (US) 2013-08-13 US disclosed
US-8507538-B2 Selective heterocyclic sphingosine 1 phosphate receptor modulators RECEPTOS, INC. (US) 2013-08-13 US disclosed
WO-2012158550-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2012-11-22 WO disclosed
WO-2012158550-A2 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2012-11-22 WO disclosed
EP-2498609-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS Receptos, Inc. (US) 2012-09-19 EP disclosed
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2011-07-28 US disclosed
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2011-07-28 US disclosed
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS LLC 2011-07-28 US disclosed
WO-2011060391-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2011-05-19 WO disclosed
WO-2011060391-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS RECEPTOS, INC. (US) 2011-05-19 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-20150299179-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 KDM4E 3745/4885ALDH1A1 2199/4885MGAM 3217/4885
US-20110183953-A1 SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 KDM4E 3745/4885ALDH1A1 2199/4885MGAM 3217/4885

“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.