SCHEMBL17437623

SCHEMBL17437623

Nc1nc(C2CC2)nn1-c1nc2cnccc2n1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 5/20 0.45
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ ATM Q13315 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ PDE8B O95263 1/20 0.33

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
SCHEMBL17437518 0.83 RPS6KA5 (0.50) RPS6KA5ALDH1A1AOC3FGFR1ATM
SCHEMBL17437416 0.81 RPS6KA5 (0.51) RPS6KA5ALDH1A1FGFR1ATM
SCHEMBL17437574 0.81 RPS6KA5 (0.48) RPS6KA5ALDH1A1FGFR1ATM
SCHEMBL17437622 0.81 RPS6KA5 (0.49) RPS6KA5ALDH1A1AOC3CYP2D6CCR5
SCHEMBL17437510 0.80 RPS6KA5 (0.47) RPS6KA5ALDH1A1FGFR1ATM
SCHEMBL17437357 0.79 RPS6KA5 (0.46) RPS6KA5ALDH1A1FGFR1ATM
SCHEMBL17437391 0.78 RPS6KA5 (0.46) RPS6KA5ALDH1A1FGFR1ATM
SCHEMBL17437326 0.77 RPS6KA5 (0.45) RPS6KA5ALDH1A1FGFR1ATM
SCHEMBL17437386 0.75 RPS6KA5 (0.49) RPS6KA5ALDH1A1CYP3A4CYP2C9AOC3
SCHEMBL17437446 0.75 RPS6KA5 (0.43) RPS6KA5ALDH1A1FGFR1ATM

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 2731/4885ALDH1A1 928/4885CYP3A4 59/4885
US-20160016949-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 RPS6KA5 2731/4885ALDH1A1 928/4885CYP3A4 59/4885

“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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