SCHEMBL20804356

SCHEMBL20804356

c1ccc(CN2CCN(Cc3ccccn3)CC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ KDM4E B2RXH2 8/20 0.66
▸ ALDH1A1 P00352 7/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HRH1 P35367 1/20 0.60
▸ TRPV6 Q9H1D0 1/20 0.60
▸ MAPT P10636 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ SIGMAR1 Q99720 3/20 0.58
▸ LMNA P02545 2/20 0.57
▸ GFER P55789 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ DDB1 Q16531 1/20 0.56
▸ CRBN Q96SW2 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL29992091 1.00 CYP1A2 (0.71) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL30141847 1.00 CYP1A2 (0.71) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL1333260 1.00 CYP1A2 (0.71) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL1331974 1.00 CYP1A2 (0.71) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL8634159 0.94 CYP1A2 (0.65) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL1822554 0.92 CYP1A2 (0.67) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL31106560 0.92 CYP1A2 (0.67) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL13955308 0.91 CYP1A2 (0.66) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL1331614 0.91 CYP1A2 (0.66) CYP1A2CYP2C19KMT2AKDM4EALDH1A1
SCHEMBL6269839 0.91 CYP1A2 (0.66) CYP1A2CYP2C19KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 — — US disclosed
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase CENTRE HOSPITALIER DE L'UNIVERSITE DE MONTREAL (CA) 2023-09-28 — — US disclosed
US-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE CENTRE HOSPITALIER DE L'UNIVERSITÉ DE MONTRÉAL (CA) 2020-08-06 — — US disclosed
WO-2019046931-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-03-14 — — 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 (2 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-20200246365-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPASE RAN, RANBP1, GDI2 CYP1A2 3997/4885CYP2C19 3094/4885KMT2A 4807/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 CYP1A2 3997/4885CYP2C19 3094/4885KMT2A 4807/4885

“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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