SCHEMBL2195071

SCHEMBL2195071

Cn1cc(-c2ccccc2)n(C)c1=[Pt].FC(F)(F)c1ccc(CN(I)I)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
KIF11 P52732 1/20 0.36
AR P10275 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TACR1 P25103 4/20 0.34
MTOR P42345 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PYCR1 P32322 1/20 0.33
GLO1 Q04760 1/20 0.33
BACE1 P56817 1/20 0.33
CCR3 P51677 1/20 0.32
NR3C1 P04150 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2197714 0.88 GAA (0.34) MEN1KMT2AGAA
SCHEMBL2195049 0.87 CYP11B1 (0.36) CYP19A1NPC1RAB9AMEN1KMT2A
SCHEMBL2194315 0.87 CFTR (0.35) ARMTORMEN1KMT2APOLB
SCHEMBL2195568 0.85 CYP19A1 (0.36) CYP19A1NPC1RAB9AMEN1KMT2A
SCHEMBL2192094 0.84 CYP11B1 (0.36) PYCR1
SCHEMBL2193567 0.84 CYP11B1 (0.36) CYP19A1NPC1MEN1KMT2ATP53
SCHEMBL2194917 0.83 KIF11 (0.39) CYP19A1KIF11TACR1MTORMEN1
SCHEMBL2196965 0.81 ALOX15B (0.39) ARMTORMEN1KMT2ATP53
SCHEMBL2195162 0.80 LMNA (0.34) MEN1KMT2AGAA
SCHEMBL2195276 0.79 KIF11 (0.39) KIF11MTORMEN1KMT2APYCR1

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 CYP19A1 787/4885KIF11 3398/4885AR 1702/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 CYP19A1 787/4885KIF11 3398/4885AR 1702/4885

“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.