SCHEMBL15469592

SCHEMBL15469592

C#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C)c3ccccn3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.38
IMPDH2 P12268 2/20 0.32
ALDH1A1 P00352 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LMNA P02545 1/20 0.31
F2 P00734 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
SCN9A Q15858 1/20 0.31
GPR142 Q7Z601 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
MAPK1 P28482 1/20 0.30
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
THRB P10828 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL15469579 0.90 CHRNB2 (0.32) ALDH1A1F2GLAHPGDPARP1
SCHEMBL12822455 0.89 RIOK2 (0.31) ALDH1A1F2GLAHPGD
SCHEMBL15469566 0.87 ADORA2A (0.33) ADORA2AIMPDH2CNR1CNR2HDAC6
SCHEMBL15469613 0.87 ADORA2A (0.37) ADORA2AIMPDH2ALDH1A1CNR1CNR2
SCHEMBL15469567 0.86 ADORA2A (0.40) ADORA2AIMPDH2ALDH1A1CNR1CNR2
SCHEMBL15469572 0.86 HDAC6 (0.35) ADORA2AIMPDH2CNR1CNR2HDAC6
SCHEMBL15469570 0.86 ADORA2A (0.33) ADORA2AIMPDH2CNR1CNR2HDAC6
SCHEMBL632771 0.86 HPGDS (0.36) ALDH1A1LMNAF2GLAHPGD
SCHEMBL15469576 0.86 ALDH1A1 (0.42) ADORA2AIMPDH2ALDH1A1CNR1CNR2
SCHEMBL15469594 0.86 PDGFRB (0.34) ALDH1A1F2GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 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 (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-20140045890-A1 NOVEL COMPOUNDS CYP1B1, CYP1A1, CYP51A1 ADORA2A 4193/4885IMPDH2 1505/4885ALDH1A1 248/4885

“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.