SCHEMBL17437583

SCHEMBL17437583

CCn1c(Br)nc2cncc(Br)c21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 5/20 0.55
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
ROCK1 Q13464 1/20 0.30
AKT3 Q9Y243 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL14050028 0.74 RPS6KA5 (0.77) RPS6KA5AKT1AKT2ROCK1AKT3
SCHEMBL16053930 0.72 RPS6KA5 (0.48) RPS6KA5ADORA2AADORA2BADORA1ADORA3
SCHEMBL4720745 0.72 RPS6KA5 (1.00) RPS6KA5AKT1AKT2ROCK1AKT3
SCHEMBL8276514 0.70 AGTR1 (0.38) RPS6KA5ADORA2AADORA2BADORA1ADORA3
SCHEMBL4064280 0.70 RPS6KA5 (0.46) RPS6KA5AKT1AKT2ROCK1AKT3
SCHEMBL16054218 0.70 RPS6KA5 (0.41) RPS6KA5
SCHEMBL17279264 0.67 ADORA2A (0.38) RPS6KA5ADORA2AADORA2BADORA1ADORA3
SCHEMBL31580070 0.66 SMN1; SMN2 (0.40) RPS6KA5
SCHEMBL15057859 0.64 RPS6KA5 (0.42) RPS6KA5
SCHEMBL17279272 0.61 ADORA2A (0.40) ADORA2AADORA2BADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050963-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-02-23 US disclosed
US-9512120-B2 Microbicidally active imidazopyridine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2016-12-06 US disclosed
US-20160016949-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-01-21 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 (2 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-20170050963-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 RPS6KA5 2731/4885ADORA2A 2060/4885ADORA2B 1612/4885
US-20160016949-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 RPS6KA5 2731/4885ADORA2A 2060/4885ADORA2B 1612/4885

“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.