SCHEMBL17437317

SCHEMBL17437317

N#Cc1cncc2nc(-n3ncnc3N)n(-c3ccccc3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.33
▸ CYP1A2 P05177 6/20 0.33
▸ CYP2C9 P11712 5/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ CYP3A4 P08684 4/20 0.33
▸ CYP2C19 P33261 5/20 0.33
▸ USP2 O75604 4/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A2 P11168 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3R1 P27986 2/20 0.33
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ KMT2A Q03164 5/20 0.32
▸ MEN1 O00255 4/20 0.32
▸ TSHR P16473 3/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 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
SCHEMBL17437328 0.83 CYP1A2 (0.35) ALDH1A1CYP1A2CYP2C9HSD17B10CYP3A4
SCHEMBL17437313 0.79 MAPT (0.34) ALDH1A1CYP1A2CYP2C9HSD17B10CYP3A4
SCHEMBL16053822 0.77 RPS6KA5 (0.32) —
SCHEMBL17437345 0.76 CYP11B1 (0.35) ALDH1A1CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL17437386 0.76 RPS6KA5 (0.49) ALDH1A1CYP1A2CYP2C9HSD17B10CYP3A4
SCHEMBL17437431 0.76 KDM4E (0.31) HSD17B10ADORA2AADORA1KMT2AMEN1
SCHEMBL17437382 0.75 USP2 (0.36) CYP1A2CYP2C9CYP3A4CYP2C19USP2
SCHEMBL17437600 0.73 CYP1A2 (0.36) ALDH1A1CYP1A2HSD17B10CYP3A4KMT2A
SCHEMBL17437387 0.69 CYP1A2 (0.37) ALDH1A1CYP1A2HSD17B10CYP3A4MAPK1
SCHEMBL11316957 0.68 POLB (0.50) ALDH1A1CYP1A2HSD17B10CYP2C19MAPK1

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 ALDH1A1 928/4885CYP1A2 25/4885CYP2C9 111/4885
US-20160016949-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 ALDH1A1 928/4885CYP1A2 25/4885CYP2C9 111/4885

“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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