SCHEMBL17437387

SCHEMBL17437387

Cn1c(-n2ncnc2N)nc2cncc(-c3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ NPC1 O15118 8/20 0.36
▸ RAB9A P51151 7/20 0.36
▸ TSHR P16473 2/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ ATM Q13315 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ KMT2A Q03164 5/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL17437344 0.85 ADORA3 (0.36) CYP1A2CYP2D6NPC1RAB9APARP1
SCHEMBL17437568 0.79 DPP4 (0.37) HSP90AA1DPP4DPP8
SCHEMBL17437561 0.79 RPS6KA5 (0.35) ADORA2AADORA1ADORA2BHSP90AA1
SCHEMBL17437545 0.74 ALDH1A1 (0.36) CYP1A2CYP3A4NPC1RAB9ATSHR
SCHEMBL17437441 0.74 NPC1 (0.32) CYP1A2CYP3A4NPC1RAB9ATSHR
SCHEMBL17437513 0.73 NPC1 (0.39) CYP1A2CYP3A4CYP2D6NPC1RAB9A
SCHEMBL17437439 0.73 RPS6KA5 (0.45) NPC1RAB9AATMADORA2AADORA1
SCHEMBL17437369 0.73 RPS6KA5 (0.32) —
SCHEMBL17437313 0.73 MAPT (0.34) CYP1A2CYP3A4CYP2D6NPC1RAB9A
SCHEMBL17437573 0.73 TLR8 (0.36) ADORA2AADORA1ADORA3ADORA2BALDH1A1

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 59/4885CYP2D6 57/4885
US-20160016949-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 CYP1A2 25/4885CYP3A4 59/4885CYP2D6 57/4885

“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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