SCHEMBL25322320

SCHEMBL25322320

COc1cc(C2=NCC(C)CC2)cnc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ GAK O14976 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 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
SCHEMBL30551056 1.00 NOS3 (0.33) NOS3NOS1NOS2GAKKDM1A
SCHEMBL25322318 1.00 NOS3 (0.33) NOS3NOS1NOS2GAKKDM1A
SCHEMBL25323808 0.85 KCNH2 (0.33) —
SCHEMBL25323804 0.85 KCNH2 (0.33) —
SCHEMBL25322868 0.82 CYP2A6 (0.37) NOS3NOS1NOS2
SCHEMBL25322871 0.82 CYP2A6 (0.37) NOS3NOS1NOS2
SCHEMBL25321976 0.81 MAPT (0.33) NOS3NOS1NOS2MAPT
SCHEMBL25321981 0.81 MAPT (0.33) NOS3NOS1NOS2MAPT
SCHEMBL24365547 0.76 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL25337574 0.75 KDM1A (0.41) KDM1AALDH1A1GAAPDE4APDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163048-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2025-05-22 — — US disclosed
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO 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-20250163048-A1 COMPOUNDS AND METHODS OF USE RB1, CYP1B1, REN NOS3 3132/4885NOS1 2495/4885NOS2 2374/4885

“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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