Sugi Predict

Sugi Predict / Compounds / SCHEMBL24375229

SCHEMBL24375229

SCHEMBL24375229

Nc1ccc(N2CCN(C3COC3)CC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.41
▸ MTOR P42345 2/20 0.41
▸ HRH3 Q9Y5N1 6/20 0.37
▸ PIK3CD O00329 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAP3K12 Q12852 1/20 0.34
▸ SYK P43405 2/20 0.34
▸ RPTOR Q8N122 1/20 0.34
▸ MLST8 Q9BVC4 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ CD63 P08962 1/20 0.34
▸ RET P07949 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33

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
SCHEMBL18291255 0.83 HRH3 (0.49) HRH3CYP1A2
SCHEMBL16427146 0.81 HRH3 (0.37) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL10289476 0.81 ALDH1A1 (0.41) HRH3RETPIM1PIM3PIM2
SCHEMBL20255451 0.81 OGA (0.40) HRH3PIK3CDRETCYP1A2PIM1
SCHEMBL18291244 0.79 MAP4K4 (0.47) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL20249354 0.78 KDM4E (0.36) HRH3RETPIM1PIM3PIM2
SCHEMBL10255064 0.78 TLR9 (0.37) HRH3RETPIM1PIM3PIM2
SCHEMBL24375401 0.77 MAP3K12 (0.41) PIK3CAMTORPIK3CDMAP3K12RPTOR
SCHEMBL30191188 0.77 OGA (0.45) PIK3CAMTORHRH3PIK3CDMAP3K12
SCHEMBL17631108 0.77 OGA (0.45) PIK3CAMTORHRH3PIK3CDMAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2023-02-09 — — US disclosed
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor HUTCHISON MEDIPHARMA LIMITED (CN) 2022-10-25 — — US disclosed
US-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-04-28 — — 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 (3 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-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A4, CYP4B1, CYP3A5 PIK3CA 1632/4885MTOR 2836/4885HRH3 752/4885
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor BTK, SYK, LCK PIK3CA 10/4885MTOR 128/4885HRH3 3060/4885
US-20230043030-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP11B2 PIK3CA 1785/4885MTOR 2222/4885HRH3 512/4885

“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.