SCHEMBL20161984

SCHEMBL20161984

CNc1ncn(CC(=O)Nc2cccc3ncccc23)c1C(=O)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ RECQL P46063 1/20 0.48
▸ CLK1 P49759 2/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ PABPC1 P11940 2/20 0.43
▸ EIF4H Q15056 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL20161578 0.83 HTT (0.50) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL19036522 0.80 ALDH1A1 (0.53) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL14387687 0.72 ALDH1A1 (0.68) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3314902 0.71 MEN1 (1.00) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL30645379 0.71 MEN1 (1.00) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL29728200 0.71 MEN1 (1.00) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL14754487 0.71 CYP1A2 (0.68) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8402846 0.70 ALDH1A1 (0.74) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL15075832 0.69 LMNA (0.51) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL15384325 0.69 CYP1A2 (0.50) MEN1KMT2AALDH1A1LMNAHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 — — 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 MEN1 3610/4885KMT2A 4200/4885ALDH1A1 968/4885

“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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