SCHEMBL2024224

SCHEMBL2024224

CC(C)N(C(=O)O)c1nnc2c(N(C)c3ccccc3Cl)nccn12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.34
▸ GRIA1 P42261 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GRM4 Q14833 1/20 0.30
▸ HDAC8 Q9BY41 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
SCHEMBL2026164 0.86 LMNA (0.36) GRIA1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL2027341 0.86 MEN1 (0.36) GRIA1LMNATP53SMN1; SMN2
SCHEMBL2016014 0.83 KDM4A (0.32) GRIA1
SCHEMBL2021495 0.81 ZAP70 (0.40) GRIA1ALDH1A1LMNATP53SMN1; SMN2
SCHEMBL2018866 0.79 SMN1; SMN2 (0.42) AURKAALDH1A1SMN1; SMN2
SCHEMBL2019511 0.79 CSNK1E (0.35) GRIA1
SCHEMBL2020328 0.79 MAPT (0.42) GRIA1TP53
SCHEMBL12638464 0.78 AURKA (0.38) AURKASMN1; SMN2GRM4HDAC8
SCHEMBL2026353 0.78 TUBB4A (0.36) ALDH1A1
SCHEMBL2019721 0.76 ADORA3 (0.37) GRIA1

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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 — — 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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO AURKA 701/4885GRIA1 2924/4885ALDH1A1 1473/4885

“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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