SCHEMBL25686948

SCHEMBL25686948

CCOC(=O)c1cc2n(n1)CCN(I)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL3309074 0.85 CYP1A2 (0.40) CYP1A2KMT2AKDM4EALDH1A1GAA
SCHEMBL26969122 0.83 HDAC6 (0.43) CYP1A2KMT2AMAPTALDH1A1GAA
SCHEMBL27137687 0.80 KMT2A (0.36) CYP1A2KMT2AKDM4EMAPTALDH1A1
SCHEMBL2929174 0.79 NPC1 (0.41) CYP1A2KMT2AKDM4EALDH1A1GAA
SCHEMBL23535249 0.79 KMT2A (0.41) CYP1A2KMT2AKDM4EALDH1A1GAA
SCHEMBL31389811 0.79 MAPT (0.37) CYP1A2KMT2AMAPTLMNATP53
SCHEMBL2522852 0.78 PDCD1 (0.43) CYP1A2KMT2AKDM4EMAPTALDH1A1
SCHEMBL24812522 0.78 RAB9A (0.37) CYP1A2KMT2AKDM4EALDH1A1GAA
SCHEMBL2928372 0.78 NPC1 (0.43) CYP1A2KMT2AKDM4EALDH1A1NPC1
SCHEMBL38663129 0.78 TP53 (0.41) KMT2AKDM4EMAPTALDH1A1GAA

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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 — — 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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A CYP1A2 234/4885KMT2A 531/4885KDM4E 2085/4885

“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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