SCHEMBL17437575

SCHEMBL17437575

Nc1ncnn1-c1nc2cnccc2n1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 5/20 0.48
▸ CYP2D6 P10635 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CYP11B2 P19099 11/20 0.36
▸ CYP11B1 P15538 8/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ HTR6 P50406 1/20 0.32

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
SCHEMBL17437385 0.94 RPS6KA5 (0.51) RPS6KA5CYP2D6CCR5CYP11B2CYP11B1
SCHEMBL17437439 0.80 RPS6KA5 (0.45) RPS6KA5ALDH1A1
SCHEMBL17437330 0.77 ADORA3 (0.32) RPS6KA5ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL17437537 0.77 CYP3A4 (0.36) RPS6KA5CYP11B2CYP11B1ALDH1A1CYP1A2
SCHEMBL17437386 0.76 RPS6KA5 (0.49) RPS6KA5CYP2D6ALDH1A1CYP1A2CYP3A4
SCHEMBL17437515 0.76 RPS6KA5 (0.52) RPS6KA5CYP2D6CCR5CYP11B2CYP11B1
SCHEMBL17437519 0.74 RPS6KA5 (0.37) RPS6KA5
SCHEMBL17437517 0.74 RPS6KA5 (0.37) RPS6KA5
SCHEMBL17437404 0.74 RPS6KA5 (0.47) RPS6KA5ALDH1A1
SCHEMBL17437345 0.74 CYP11B1 (0.35) CYP11B2CYP11B1ALDH1A1CYP1A2CYP3A4

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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