SCHEMBL26031462

SCHEMBL26031462

CCc1ncnc2cn[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.33
▸ PDPK1 O15530 1/20 0.31
▸ CHEK1 O14757 1/20 0.30
▸ AURKA O14965 1/20 0.30

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
SCHEMBL25778111 0.74 HTT (0.47) HTTPTK2PDPK1CHEK1AURKA
SCHEMBL570694 0.74 HTT (0.38) HTTPTK2
SCHEMBL2748854 0.73 TP53 (0.46) HTTPTK2ALDH1A1PDPK1CHEK1
SCHEMBL4839832 0.69 HTT (0.38) HTTPTK2
SCHEMBL5384173 0.69 DYRK1A (0.48) HTTPTK2ALDH1A1
SCHEMBL397509 0.69 PI4KA (0.50) HTTPTK2PDPK1CHEK1AURKA
SCHEMBL10226489 0.69 ALDH1A1 (0.56) ALDH1A1PDPK1CHEK1AURKA
SCHEMBL2760379 0.69 DYRK1A (0.53) —
SCHEMBL21347892 0.69 HTT (0.38) HTTPTK2PDPK1CHEK1AURKA
SCHEMBL12462960 0.69 HTT (0.38) HTTPTK2ALDH1A1PDPK1CHEK1

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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 — — 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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 HTT 4570/4885PTK2 91/4885ALDH1A1 3834/4885

“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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