SCHEMBL2025118

SCHEMBL2025118

COc1ccc(Nc2nccn3c(N(C(=O)O)C(C)C)nnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ZAP70 P43403 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ KARS1 Q15046 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41

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
SCHEMBL2018876 0.88 NPC1 (0.39) RAB9ANPC1NPSR1SMN1; SMN2ZAP70
SCHEMBL2022707 0.88 PIK3C2B (0.47) ALDH1A1HTTLMNATP53ZAP70
SCHEMBL2021387 0.88 SHMT2 (0.42) ALDH1A1ZAP70MEN1KMT2AMAPT
SCHEMBL2025887 0.88 TTK (0.41) RAB9ANPC1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL2019861 0.87 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TP53ZAP70
SCHEMBL2021403 0.87 CCNE2 (0.39) RAB9ANPC1SMN1; SMN2ZAP70MEN1
SCHEMBL2024539 0.87 CRHR1 (0.40) HTTZAP70MEN1KMT2AKARS1
SCHEMBL2017895 0.86 AURKA (0.36) RAB9ANPC1SMN1; SMN2TP53ZAP70
SCHEMBL2024818 0.86 ZAP70 (0.47) ZAP70KARS1
SCHEMBL2019653 0.85 SYK (0.37) RAB9ANPC1SMN1; SMN2ZAP70MEN1

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 RAB9A 3244/4885NPC1 803/4885ALDH1A1 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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