SCHEMBL2021837

SCHEMBL2021837

COc1ccc(N(Cc2ccccc2)c2nccn3c(N(C(=O)O)C(C)C)nnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 1/20 0.40
▸ KARS1 Q15046 1/20 0.40
▸ MAPK1 P28482 1/20 0.37
▸ RNF4 P78317 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TRPM8 Q7Z2W7 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KEAP1 Q14145 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
SCHEMBL2026353 0.85 TUBB4A (0.36) ZAP70KARS1GAATRPM8MAPT
SCHEMBL2021495 0.82 ZAP70 (0.40) ZAP70KARS1MAPK1TP53SMN1; SMN2
SCHEMBL12638340 0.81 ZAP70 (0.39) ZAP70KARS1MAPK1RNF4MAPT
SCHEMBL12574759 0.81 NPC1 (0.38) ZAP70KARS1MAPK1RNF4SMN1; SMN2
SCHEMBL12476187 0.81 TSHR (0.39) ZAP70KARS1MAPK1RNF4CYP1A2
SCHEMBL2020203 0.80 ZAP70 (0.33) ZAP70KARS1SMN1; SMN2GAAMAPT
SCHEMBL2023131 0.79 CYP1A2 (0.41) TP53SMN1; SMN2CYP1A2ALDH1A1KMT2A
SCHEMBL12575032 0.79 ZAP70 (0.36) ZAP70KARS1MAPK1RNF4TP53
SCHEMBL2026164 0.77 LMNA (0.36) ZAP70KARS1MAPK1TP53SMN1; SMN2
SCHEMBL2025118 0.76 RAB9A (0.46) ZAP70KARS1MAPK1TP53SMN1; SMN2

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 1193/4885MAPK1 2007/4885

“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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