SCHEMBL17437480

SCHEMBL17437480

Nc1ncnn1-c1nc2cncc(-c3ccccc3Cl)c2n1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CNR1 P21554 3/20 0.33
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ ADORA2B P29275 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
SCHEMBL17437486 0.95 SLC9A1 (0.33) ALDH1A1CNR2SLC9A1CYP1A2CYP3A4
SCHEMBL17437312 0.89 KDM4E (0.34) KDM4EALDH1A1MAPK1ADORA3ADORA2A
SCHEMBL17437381 0.89 CRHR1 (0.35) ALDH1A1CNR1ADORA3ADORA2AADORA1
SCHEMBL17437482 0.81 MEN1 (0.33) KDM4EALDH1A1MAPK1CNR1CYP1A2
SCHEMBL17437310 0.81 CYP1A2 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL17437327 0.79 ADORA3 (0.39) ADORA3ADORA2AADORA1AURKAJAK2
SCHEMBL17437506 0.78 RPS6KA5 (0.34) KDM4ESLC9A1CYP1A2CYP3A4CYP2D6
SCHEMBL17437378 0.77 TLR8 (0.35) KDM4ECYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL17437385 0.74 RPS6KA5 (0.51) KDM4EALDH1A1MAPK1ADORA3ADORA2A
SCHEMBL17437537 0.74 CYP3A4 (0.36) ALDH1A1JAK2JAK1CYP1A2CYP3A4

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 KDM4E 1452/4885ALDH1A1 928/4885MAPK1 1737/4885
US-20160016949-A1 MICROBICIDALLY ACTIVE IMIDAZOPYRIDINE DERIVATIVES IDO1, IDO2, FOXM1 KDM4E 1452/4885ALDH1A1 928/4885MAPK1 1737/4885

“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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