SCHEMBL16094187

SCHEMBL16094187

O=C(O)c1cc2n(n1)CCCN(C(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.38
▸ FABP4 P15090 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ P2RX1 P51575 1/20 0.34
▸ MC4R P32245 1/20 0.33
▸ CXCR3 P49682 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ RHOC P08134 1/20 0.33
▸ RHOA P61586 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL16099794 0.87 BTK (0.35) BTKFABP4MC4RCXCR3RHOA
SCHEMBL16100249 0.82 MEN1 (0.37) NPC1SMN1; SMN2
SCHEMBL16099914 0.82 ENPP2 (0.41) LMNAGAASMN1; SMN2
SCHEMBL16129778 0.80 TACR1 (0.38) NPC1
SCHEMBL16099623 0.80 TACR1 (0.39) —
SCHEMBL16094524 0.76 TACR1 (0.34) —
SCHEMBL16093646 0.75 ENPP2 (0.40) GRM5
SCHEMBL16094523 0.74 TACR1 (0.40) —
SCHEMBL16093608 0.74 ENPP2 (0.44) —
SCHEMBL16094214 0.74 ENPP2 (0.42) RAB9ANPC1

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 BTK 3491/4885FABP4 3980/4885EGLN1 2253/4885

“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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