SCHEMBL20804360

SCHEMBL20804360

N#Cc1ccc(CN2CCN(Cc3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.66
KCNH2 Q12809 1/20 0.66
USP2 O75604 1/20 0.65
CCR2 P41597 1/20 0.59
HRH3 Q9Y5N1 3/20 0.58
FAAH O00519 1/20 0.57
TSHR P16473 2/20 0.56
CYP1A2 P05177 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2C9 P11712 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP19A1 P11511 1/20 0.55
CYP2D6 P10635 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL28024576 1.00 KCNJ1 (0.66) KCNJ1KCNH2USP2CCR2HRH3
SCHEMBL27895178 0.92 CCR2 (0.64) KCNJ1KCNH2USP2CCR2HRH3
SCHEMBL150808 0.92 HRH3 (0.68) KCNJ1KCNH2USP2CCR2HRH3
SCHEMBL12963253 0.91 USP2 (0.56) KCNJ1KCNH2USP2CCR2HRH3
SCHEMBL148919 0.91 KCNJ1 (0.61) KCNJ1KCNH2USP2CCR2HRH3
SCHEMBL22878201 0.91 USP2 (0.56) KCNJ1KCNH2USP2CCR2HRH3
SCHEMBL17284228 0.91 USP2 (0.56) KCNJ1KCNH2USP2CCR2HRH3
SCHEMBL154169 0.90 HRH3 (0.70) KCNJ1KCNH2USP2CCR2HRH3
SCHEMBL151230 0.90 HRH3 (0.70) KCNJ1KCNH2USP2CCR2HRH3
SCHEMBL2004411 0.88 USP2 (0.58) KCNJ1KCNH2USP2CCR2HRH3

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-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 KCNJ1 1391/4885KCNH2 2329/4885USP2 4401/4885
US-20230302030-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF AS INHIBITORS OF RAN GTPase RAN, RANBP1, GDI2 KCNJ1 1391/4885KCNH2 2329/4885USP2 4401/4885

“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.