SCHEMBL14889554

SCHEMBL14889554

C[C](CCc1ccncc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.47
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.42
CYP17A1 P05093 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
HRH1 P35367 2/20 0.41
NPY5R Q15761 1/20 0.41
CHRM4 P08173 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL6205693 0.82 CYP19A1 (0.45) LOXL2ALDH1A1TSHRCYP17A1RAB9A
SCHEMBL660683 0.82 LOXL2 (0.52) LOXL2FFAR1ALDH1A1LMNACYP17A1
SCHEMBL1677975 0.82 ALDH1A1 (0.63) LOXL2FFAR1ALDH1A1LMNATSHR
SCHEMBL14889611 0.80 ALDH1A1 (0.67) FFAR1ALDH1A1LMNANPC1RAB9A
SCHEMBL9535757 0.77 LOXL2 (0.50) LOXL2FFAR1ALDH1A1LMNATSHR
SCHEMBL6573723 0.77 FFAR1 (0.52) LOXL2FFAR1LMNANPC1RAB9A
SCHEMBL1286084 0.76 HRH1 (0.53) LOXL2FFAR1ALDH1A1LMNACYP17A1
SCHEMBL333186 0.75 FFAR1 (0.70) FFAR1ALDH1A1LMNANPY5RTDP1
SCHEMBL17447470 0.74 ALDH1A1 (0.48) LOXL2FFAR1ALDH1A1TSHRNPC1
SCHEMBL7178176 0.74 IAPP (0.53) LOXL2FFAR1ALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP claimed
US-9403808-B2 Pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US claimed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP claimed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US claimed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 WO claimed
EP-2771327-B1 NOVEL PYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-11-16 EP disclosed
US-9403808-B2 Pyrazine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-08-02 US disclosed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 EP disclosed
US-20130109665-A1 NOVEL PYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 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-20130109665-A1 NOVEL PYRAZINE DERIVATIVES CNR2, CNR1, GPR174 LOXL2 2663/4885FFAR1 143/4885ALDH1A1 2419/4885

“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.