SCHEMBL20031135

SCHEMBL20031135

Cc1ccc(-c2ncn(C)n2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.54
CCR5 P51681 1/20 0.54
CCR8 P51685 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
METAP2 P50579 1/20 0.41
PPARA Q07869 1/20 0.39
TGFBR1 P36897 2/20 0.38
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
GRM5 P41594 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TYK2 P29597 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
LRRK2 Q5S007 1/20 0.32
AOC3 Q16853 2/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL14246319 0.80 PPARA (0.38) PPARAAOC3PLAUADRA2AADRA2B
SCHEMBL20031407 0.76 PPARA (0.36) CCR1CCR5CCR8HDAC6PPARA
SCHEMBL11996645 0.75 AOC3 (0.46) PPARALRRK2AOC3MAPTRAB9A
SCHEMBL20031405 0.74 PPARA (0.36) PPARATYK2AOC3
SCHEMBL26721041 0.73 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL12622282 0.73 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL17051506 0.73 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL42126 0.73 CCR1 (0.64) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL46305 0.73 CCR1 (0.52) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL20969942 0.72 PPARA (0.40) PPARAAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-05 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-20180093951-A1 PESTICIDALLY ACTIVE CARBAMOYLATED AND THIOCARBAMOYLATED OXIME DERIVATIVES ACHE, DDT, BCHE CCR1 3739/4885CCR5 4030/4885CCR8 4271/4885

“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.