SCHEMBL2195657

SCHEMBL2195657

Cn1nc(C2CCCCC2)[nH]c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
PDE5A O76074 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CETP P11597 1/20 0.32
PDE9A O76083 1/20 0.32
KMT2A Q03164 1/20 0.31
PDE2A O00408 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
SCHEMBL2193784 0.88 MAPK14 (0.36) ADORA1SLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL2192454 0.87 ADORA1 (0.38) ADORA1SLC6A2SLC6A4SIGMAR1KDM4E
SCHEMBL2192374 0.86 MEN1 (0.31) KMT2A
SCHEMBL2193146 0.86 LSS (0.38) ADORA1SLC6A2SLC6A4PSEN1PSEN2
SCHEMBL2198292 0.86 ADORA3 (0.38) ADORA1KDM4EALDH1A1PDE9AKMT2A
SCHEMBL2196384 0.78 PDE5A (0.36) SLC6A2SLC6A4PDE5ASIGMAR1PDE2A
SCHEMBL2195874 0.77 PDE5A (0.42) ADORA1SLC6A2SLC6A4PDE5APTGDR2
SCHEMBL2195966 0.76 ADORA2A (0.33) ADORA1
SCHEMBL2268158 0.76 ADORA2A (0.33) ADORA1
SCHEMBL2196243 0.76 ADORA2A (0.33) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980875-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-03-17 US claimed
US-20130338128-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-12-19 US claimed
US-8481522-B2 Platinum-N-heterocyclic carbene derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-07-09 US claimed
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-14 US claimed
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-07-14 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 (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-20130338128-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 ADORA1 925/4885SLC6A2 3237/4885SLC6A4 3683/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 ADORA1 925/4885SLC6A2 3237/4885SLC6A4 3683/4885

“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.