SCHEMBL22764080

SCHEMBL22764080

O=C(NN1CCOc2ccccc21)c1cnc2c(O)cncc2c1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TP53 P04637 4/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL22764004 0.86 MEN1 (0.38) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL22734543 0.86 KMT2A (0.41) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL29440697 0.86 KMT2A (0.41) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL22764003 0.85 POLB (0.37) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL22764081 0.84 ALDH1A1 (0.35) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL22734607 0.83 USP2 (0.39) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL22734521 0.82 PKM (0.37) MEN1KMT2APOLBCYP1A2CYP3A4
SCHEMBL22734604 0.81 TP53 (0.38) MEN1KMT2ATP53USP2MAPK1
SCHEMBL22734632 0.81 KMT2A (0.40) MEN1KMT2APOLBTP53USP2
SCHEMBL22734613 0.81 KMT2A (0.37) MEN1KMT2APOLBCYP1A2CYP3A4

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-20200385398-A1 NEW BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG 2020-12-10 — — 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-20200385398-A1 NEW BICYCLIC DERIVATIVES CYCS, FABP3, TNNI3 MEN1 3381/4885KMT2A 3657/4885POLB 4186/4885

“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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