SCHEMBL15470588

SCHEMBL15470588

COc1cc(C)nc(-c2cccc(C)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.59
CCR8 P51685 1/20 0.59
MAPK14 Q16539 2/20 0.44
TGFBR1 P36897 1/20 0.44
GRM5 P41594 3/20 0.44
METAP2 P50579 1/20 0.43
CYP2A6 P11509 1/20 0.40
ACHE P22303 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
FFAR1 O14842 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
SCHEMBL4538618 0.86 CCR1 (0.42) CCR1CCR8MAPK14TGFBR1METAP2
SCHEMBL5020316 0.82 FFAR1 (0.39) CCR1CCR8MAPK14TGFBR1MEN1
SCHEMBL4735238 0.81 HSP90AA1 (0.59) CCR1CCR8GRM5NPC1RAB9A
SCHEMBL9355821 0.81 CCR1 (0.53) CCR1CCR8MAPK14TGFBR1GRM5
SCHEMBL9356399 0.77 CCR1 (0.48) CCR1CCR8MAPK14TGFBR1METAP2
SCHEMBL4562730 0.77 GRM5 (0.47) GRM5
SCHEMBL196966 0.77 CCR1 (1.00) CCR1CCR8MAPK14TGFBR1GRM5
SCHEMBL30511194 0.77 CCR1 (1.00) CCR1CCR8MAPK14TGFBR1GRM5
SCHEMBL29388304 0.77 CCR1 (1.00) CCR1CCR8MAPK14TGFBR1GRM5
SCHEMBL3268715 0.76 CCR1 (0.52) CCR1CCR8GRM5CYP2A6NPC1

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-20140045873-A1 NOVEL MICROBIOCIDES 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 CCR1 202/4885CCR8 831/4885MAPK14 4259/4885

“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.