SCHEMBL2026353

SCHEMBL2026353

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 5/20 0.36
▸ TUBB P07437 5/20 0.36
▸ TUBA3C P0DPH7 5/20 0.36
▸ TUBA1B P68363 5/20 0.36
▸ TUBA4A P68366 5/20 0.36
▸ TUBB4B P68371 5/20 0.36
▸ TUBB3 Q13509 5/20 0.36
▸ TUBB2A Q13885 5/20 0.36
▸ TUBB8 Q3ZCM7 5/20 0.36
▸ TUBA3E Q6PEY2 5/20 0.36
▸ TUBA1A Q71U36 5/20 0.36
▸ TUBA1C Q9BQE3 5/20 0.36
▸ TUBB6 Q9BUF5 5/20 0.36
▸ TUBB2B Q9BVA1 5/20 0.36
▸ TUBB1 Q9H4B7 5/20 0.36
▸ KDR P35968 4/20 0.35
▸ EGFR P00533 3/20 0.35
▸ PDGFRB P09619 3/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ ZAP70 P43403 1/20 0.34

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 0.88 LMNA (0.36) EGFRZAP70KARS1ALDH1A1MAPT
SCHEMBL2019511 0.88 CSNK1E (0.35) —
SCHEMBL2016014 0.88 KDM4A (0.32) —
SCHEMBL2021837 0.85 ZAP70 (0.40) TRPM8ZAP70KARS1ALDH1A1GAA
SCHEMBL2027341 0.82 MEN1 (0.36) ZAP70KARS1GAAMAPTKMT2A
SCHEMBL2020328 0.81 MAPT (0.42) EGFRMAPTCSF1R
SCHEMBL2025118 0.80 RAB9A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14136841 0.78 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2019721 0.76 ADORA3 (0.37) —
SCHEMBL12482081 0.76 CASP1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 TUBB4A 1070/4885TUBB 851/4885TUBA3C 540/4885

“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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