SCHEMBL17437622

SCHEMBL17437622

Nc1nc(C2CC2)nn1-c1nc2cnccc2n1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 4/20 0.49
▸ CYP2D6 P10635 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HCAR1 Q9BXC0 1/20 0.33
▸ PRKACA P17612 2/20 0.33
▸ RPS6KB1 P23443 2/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.33
▸ AOC3 Q16853 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP11B2 P19099 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
SCHEMBL17437515 0.87 RPS6KA5 (0.52) RPS6KA5CYP2D6CCR5KDM4EALDH1A1
SCHEMBL17437413 0.85 RPS6KA5 (0.53) RPS6KA5CYP2D6CCR5KDM4EALDH1A1
SCHEMBL17437570 0.85 RPS6KA5 (0.50) RPS6KA5CYP2D6CCR5KDM4EALDH1A1
SCHEMBL17437356 0.83 RPS6KA5 (0.48) RPS6KA5CYP2D6CCR5KDM4EALDH1A1
SCHEMBL17437389 0.83 RPS6KA5 (0.47) RPS6KA5CYP2D6CCR5KDM4EALDH1A1
SCHEMBL16054216 0.82 RPS6KA5 (0.47) RPS6KA5CYP2D6CCR5KDM4EALDH1A1
SCHEMBL17437623 0.81 RPS6KA5 (0.45) RPS6KA5CYP2D6CCR5ALDH1A1AOC3
SCHEMBL17437385 0.80 RPS6KA5 (0.51) RPS6KA5CYP2D6CCR5KDM4EALDH1A1
SCHEMBL17437325 0.79 RPS6KA5 (0.45) RPS6KA5CYP2D6CCR5KDM4EALDH1A1
SCHEMBL17437444 0.79 RPS6KA5 (0.45) RPS6KA5CYP2D6CCR5KDM4EALDH1A1

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 2731/4885CYP2D6 57/4885CCR5 1209/4885
US-20160016949-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 RPS6KA5 2731/4885CYP2D6 57/4885CCR5 1209/4885

“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.

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