SCHEMBL2197113

SCHEMBL2197113

Cc1ccc(CN(I)I)cc1.Cn1nc(Cc2ccc(C(F)(F)F)cc2)[nH]c1=[Pt]

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.35
TYMP P19971 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALKBH3 Q96Q83 2/20 0.34
IDH1 O75874 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PYCR1 P32322 1/20 0.32
PDE2A O00408 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
P2RY14 Q15391 1/20 0.31
AADAT Q8N5Z0 1/20 0.31
PTGER1 P34995 1/20 0.31
SSTR3 P32745 1/20 0.31
PHGDH O43175 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
SCHEMBL2196384 0.97 PDE5A (0.36) PDE5ATYMPALKBH3IDH1MBOAT4
SCHEMBL2194836 0.92 PDE2A (0.35) PDE5ATYMPPOLBALKBH3PDE2A
SCHEMBL2195783 0.92 PDE2A (0.36) PDE5ATYMPGAAALKBH3IDH1
SCHEMBL2195103 0.92 PDE2A (0.35) PDE5ATYMPPOLBALKBH3PDE2A
SCHEMBL2193206 0.91 NR1H2 (0.36) PDE5ATYMPMBOAT4PDE2A
SCHEMBL2194207 0.91 PDE5A (0.34) PDE5ATYMPALKBH3IDH1MBOAT4
SCHEMBL2199132 0.86 CYP2C19 (0.36) TP53POLBGAAMAPT
SCHEMBL2196147 0.83 PDE5A (0.41) PDE5ATYMPALKBH3IDH1MBOAT4
SCHEMBL2198379 0.83 PDE5A (0.43) PDE5ATYMPSIGMAR1AADATPHGDH
SCHEMBL2194720 0.82 PDE5A (0.43) PDE5ATYMPSIGMAR1AADATPHGDH

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 PDE5A 4509/4885TYMP 1033/4885TP53 1327/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 PDE5A 4509/4885TYMP 1033/4885TP53 1327/4885

“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.