SCHEMBL26323357

SCHEMBL26323357

CC1=NCCC(Nc2ccc3[nH]c(-c4ccc(C)cn4)nc3n2)=C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DGAT1 O75907 2/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ ADORA2A P29274 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
SCHEMBL26323345 0.85 PRMT5 (0.37) NPC1RAB9ASMN1; SMN2PRMT5
SCHEMBL26323315 0.80 CBFB (0.34) NPC1POLBRAB9ASMN1; SMN2CCR1
SCHEMBL26327371 0.74 SLC2A1 (0.31) POLBSMN1; SMN2
SCHEMBL26323371 0.68 CBFB (0.36) NPC1RAB9ASMN1; SMN2
SCHEMBL26323330 0.65 KDR (0.42) NPC1POLBRAB9ASMN1; SMN2
SCHEMBL26158811 0.62 METAP2 (0.52) NPC1RAB9ASMN1; SMN2CCR1CCR5
SCHEMBL26323321 0.62 KDR (0.39) NPC1POLBRAB9ASMN1; SMN2
SCHEMBL11460146 0.60 NPC1 (0.61) NPC1POLBRAB9ASMN1; SMN2HDAC6
SCHEMBL34719 0.58 METAP2 (0.39) NPC1POLBRAB9ASMN1; SMN2CCR1
SCHEMBL35032 0.58 CBFB (0.50) NPC1POLBRAB9ASMN1; SMN2CCR1

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 ADRA2A 3392/4885ADRA2B 3458/4885ADRA2C 2963/4885

“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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