SCHEMBL2196414

SCHEMBL2196414

CC(C)n1ccn(C)c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.37
PYCR1 P32322 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
P2RX3 P56373 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LSS P48449 1/20 0.32
CNR1 P21554 1/20 0.31
MAOB P27338 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
BACE1 P56817 1/20 0.30
PDE2A O00408 1/20 0.30

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
SCHEMBL2194557 0.88 PYCR1 (0.41) PYCR1SLC6A2SLC6A4ALDH1A1GAA
SCHEMBL2193057 0.86 TRPA1 (0.33) PYCR1SLC6A2SLC6A4ALDH1A1
SCHEMBL2195476 0.84 TSHR (0.32) KDM4E
SCHEMBL2197172 0.83 PYCR1 (0.38) PYCR1ALDH1A1KDM4EMAOB
SCHEMBL2195750 0.83 LSS (0.32) PYCR1SLC6A2ALDH1A1HTTLSS
SCHEMBL2196008 0.83 AOC3 (0.35) CDK1SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL2198454 0.82 PYCR1 (0.37) PYCR1SLC6A2SLC6A4ALDH1A1GAA
SCHEMBL2195824 0.81 PYCR1 (0.36) PYCR1SLC6A2SLC6A4ALDH1A1GAA
SCHEMBL2196021 0.81 KDM4E (0.36) PYCR1P2RX3ALDH1A1GAAKDM4E
SCHEMBL2196723 0.79 PYCR1 (0.35) PYCR1SLC6A2SLC6A4LSS

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 CDK1 350/4885PYCR1 75/4885SLC6A2 3237/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 CDK1 350/4885PYCR1 75/4885SLC6A2 3237/4885

“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.