SCHEMBL19180322

SCHEMBL19180322

C=C(C)c1cnc2oc3nc(N)c(C(=O)OCC)cc3c(=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 9/20 0.66
▸ IKBKE Q14164 5/20 0.52
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ IDO1 P14902 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL19180091 0.85 TBK1 (0.69) TBK1IKBKERAB9ANPC1RXFP1
SCHEMBL10516944 0.84 TBK1 (0.74) TBK1IKBKERAB9ANPC1RXFP1
SCHEMBL19182272 0.83 TBK1 (0.58) TBK1IKBKERAB9ANPC1RXFP1
SCHEMBL19182338 0.83 TBK1 (0.74) TBK1IKBKERAB9ANPC1RXFP1
SCHEMBL19180469 0.82 TBK1 (0.74) TBK1IKBKERAB9ANPC1RXFP1
SCHEMBL19181433 0.80 TBK1 (0.65) TBK1IKBKERAB9ANPC1RXFP1
SCHEMBL19182260 0.80 TBK1 (1.00) TBK1IKBKERAB9ANPC1RXFP1
SCHEMBL10512142 0.79 TBK1 (0.68) TBK1IKBKERAB9ANPC1RXFP1
SCHEMBL19196781 0.79 TBK1 (0.66) TBK1IKBKERAB9ANPC1RXFP1
SCHEMBL19182071 0.79 TBK1 (0.65) TBK1IKBKERAB9ANPC1RXFP1

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-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — US disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — US disclosed
US-20170217980-A1 AMLEXANOX ANALOGS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-03 — — 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 (1 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-20170217980-A1 AMLEXANOX ANALOGS GPR119, GLP1R, IRS1 TBK1 494/4885IKBKE 189/4885RAB9A 2660/4885

“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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