SCHEMBL17437537

SCHEMBL17437537

Cc1cncc2nc(-n3ncnc3N)n(C3CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP11B2 P19099 13/20 0.36
▸ CYP11B1 P15538 13/20 0.36
▸ RPS6KA5 O75582 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ ADRA2B P18089 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
SCHEMBL17437330 0.85 ADORA3 (0.32) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17437345 0.82 CYP11B1 (0.35) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17437327 0.80 ADORA3 (0.39) RPS6KA5JAK2JAK1
SCHEMBL17437529 0.79 CYP11B2 (0.37) CYP3A4ALDH1A1CYP1A2CYP2C19CYP11B2
SCHEMBL17437486 0.78 SLC9A1 (0.33) CYP3A4ALDH1A1CYP1A2CYP2C19CYP11B2
SCHEMBL17437544 0.78 RPS6KA5 (0.36) CYP1A2RPS6KA5
SCHEMBL17437575 0.77 RPS6KA5 (0.48) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17437314 0.76 TLR8 (0.34) RPS6KA5
SCHEMBL17437312 0.74 KDM4E (0.34) ALDH1A1CYP11B2CYP11B1JAK2JAK1
SCHEMBL17437480 0.74 KDM4E (0.34) CYP3A4ALDH1A1CYP1A2RPS6KA5JAK2

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 CYP3A4 59/4885ALDH1A1 928/4885CYP1A2 25/4885
US-20160016949-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 CYP3A4 59/4885ALDH1A1 928/4885CYP1A2 25/4885

“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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