SCHEMBL26323371

SCHEMBL26323371

CC1=NCCC(Oc2ccc3[nH]c(-c4ccc(C)cn4)nc3c2)=C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 7/20 0.36
▸ METAP2 P50579 3/20 0.34
▸ METAP1 P53582 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ PKM P14618 2/20 0.34
▸ RUNX1 Q01196 2/20 0.33
▸ ACHE P22303 3/20 0.32
▸ CHEK2 O96017 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL26323396 0.82 NPC1 (0.48) NPC1RAB9APKMACHECHEK2
SCHEMBL26323315 0.78 CBFB (0.34) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL26158811 0.74 METAP2 (0.52) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL26158835 0.69 CBFB (0.47) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL179155 0.69 CBFB (0.63) CBFBNPC1RAB9APKMRUNX1
SCHEMBL26323357 0.68 ADRA2A (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL124413 0.67 CBFB (0.58) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL35032 0.67 CBFB (0.50) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL125273 0.67 KCNH2 (0.45) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL125204 0.67 CBFB (0.54) CBFBMETAP2METAP1NPC1RAB9A

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 — — 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CBFB 3072/4885METAP2 3851/4885METAP1 4055/4885

“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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