SCHEMBL17437600

SCHEMBL17437600

CCn1c(-n2ncnc2N)nc2cncc(-c3ccccc3C#N)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RPS6KA5 O75582 1/20 0.32
▸ DPP4 P27487 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PIP4K2A P48426 1/20 0.31
▸ ATR Q13535 2/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ GABRA1 P14867 2/20 0.31
▸ GABRG2 P18507 2/20 0.31
▸ GABRB3 P28472 2/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ PRKDC P78527 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
SCHEMBL16053847 0.86 RPS6KA5 (0.36) CYP1A2CYP3A4HSD17B10MEN1ALDH1A1
SCHEMBL16053822 0.85 RPS6KA5 (0.32) RPS6KA5
SCHEMBL17437506 0.85 RPS6KA5 (0.34) CYP1A2CYP3A4HSD17B10RPS6KA5DPP4
SCHEMBL17437576 0.84 HTR2C (0.35) CYP1A2HSD17B10ALDH1A1RPS6KA5CYP2D6
SCHEMBL17437344 0.83 ADORA3 (0.36) CYP1A2HSD17B10ALDH1A1HPGDRPS6KA5
SCHEMBL17437584 0.83 CYP3A4 (0.38) CYP1A2CYP3A4TDP1HSD17B10MEN1
SCHEMBL17437329 0.83 EGFR (0.38) CYP1A2RPS6KA5CYP2D6HTT
SCHEMBL17437352 0.83 DYRK1A (0.36) RPS6KA5
SCHEMBL17437422 0.81 KDM4E (0.42) CYP1A2ALDH1A1HPGDRPS6KA5
SCHEMBL17437443 0.81 PTPN11 (0.34) RPS6KA5

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 CYP1A2 25/4885CYP3A4 59/4885TDP1 781/4885
US-20160016949-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 CYP1A2 25/4885CYP3A4 59/4885TDP1 781/4885

“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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