SCHEMBL16100467

SCHEMBL16100467

O=C(O)c1cc2n(n1)CCCN(C(=O)NCc1cc(Cl)cc(Cl)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.41
▸ ENPP2 Q13822 1/20 0.40
▸ ATXN2 Q99700 1/20 0.40
▸ EPHX2 P34913 4/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34

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
SCHEMBL16129778 0.84 TACR1 (0.38) —
SCHEMBL16099089 0.82 GRIN2B (0.37) GRIN2BENPP2ATXN2EPHX2KMT2A
SCHEMBL16099316 0.81 NPC1 (0.39) ENPP2ATXN2KMT2ATDP1MAPT
SCHEMBL16100138 0.80 ENPP2 (0.42) ENPP2ATXN2
SCHEMBL16100207 0.79 ENPP2 (0.38) GRIN2BENPP2
SCHEMBL16102917 0.77 GRM5 (0.34) GRIN2BENPP2ATXN2EPHX2KMT2A
SCHEMBL16100664 0.77 EPHX2 (0.38) GRIN2BENPP2ATXN2EPHX2KMT2A
SCHEMBL16093920 0.76 ALDH1A1 (0.36) GRIN2BENPP2ATXN2EPHX2KMT2A
SCHEMBL31739702 0.76 GRM5 (0.38) —
SCHEMBL16100641 0.74 FAAH (0.45) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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 (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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 GRIN2B 2245/4885ENPP2 1/4885ATXN2 110/4885

“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.

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