SCHEMBL2021495

SCHEMBL2021495

CC(C)N(C(=O)O)c1nnc2c(N(C)Cc3ccccc3)nccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 1/20 0.40
▸ KARS1 Q15046 1/20 0.40
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36

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 0.85 LMNA (0.36) ZAP70KARS1ALDH1A1KDM4ELMNA
SCHEMBL2019721 0.84 ADORA3 (0.37) GRIA1
SCHEMBL2020203 0.82 ZAP70 (0.33) ZAP70KARS1ALDH1A1NPC1KDM4E
SCHEMBL2021837 0.82 ZAP70 (0.40) ZAP70KARS1ALDH1A1NPC1TP53
SCHEMBL2021493 0.79 ADORA3 (0.49) ZAP70KARS1MAPK14NPC1KDM4E
SCHEMBL12638869 0.77 MAPK14 (0.42) ZAP70KARS1GABRA1GABRG2GABRB3
SCHEMBL2022563 0.77 HPGD (0.35) ALDH1A1NPC1KDM4ELMNATP53
SCHEMBL12575121 0.77 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5MAPK14
SCHEMBL12476483 0.76 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL12574657 0.76 GRM5 (0.39) ZAP70KARS1GABRA1GABRG2GABRB3

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 ZAP70 687/4885KARS1 1193/4885GABRA1 3427/4885

“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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