SCHEMBL26323345

SCHEMBL26323345

CC1=NCCC(Nc2ccc3[nH]c(-c4ccc(C)cc4)nc3n2)=C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 13/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ AURKA O14965 2/20 0.34
▸ NPBWR1 P48145 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL26323357 0.85 ADRA2A (0.33) PRMT5NPC1RAB9ASMN1; SMN2
SCHEMBL26323330 0.79 KDR (0.42) GRIN2BNPBWR1MEN1NPC1ALDH1A1
SCHEMBL26323321 0.71 KDR (0.39) NPBWR1MEN1NPC1ALDH1A1MAPT
SCHEMBL26323315 0.65 CBFB (0.34) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25494178 0.61 RAD52 (0.45) PRMT5MEN1NPC1ALDH1A1MAPT
SCHEMBL11770396 0.61 AURKA (0.70) PRMT5AURKANPC1RAB9ASMN1; SMN2
SCHEMBL18415733 0.61 AURKA (0.51) AURKANPBWR1MEN1NPC1ALDH1A1
SCHEMBL5308832 0.60 PRMT5 (0.53) PRMT5GRIN2BAURKAMEN1ALDH1A1
SCHEMBL13041701 0.59 TNKS (0.49) NPBWR1MEN1NPC1ALDH1A1MAPT
SCHEMBL23999971 0.59 ALDH1A1 (0.55) PRMT5MEN1NPC1ALDH1A1MAPT

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 PRMT5 1924/4885GRIN2B 3348/4885AURKA 2590/4885

“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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