SCHEMBL2196060

SCHEMBL2196060

Cn1nc(-c2ccccc2)[nH]c1=[Pt].IN(I)C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
HTR2A P28223 5/20 0.32
HTR2C P28335 4/20 0.32
KCNH2 Q12809 2/20 0.32
DRD2 P14416 3/20 0.31
NPY5R Q15761 2/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ATM Q13315 1/20 0.31
SLC6A9 P48067 1/20 0.30
BTK Q06187 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MAPK10 P53779 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL2196304 0.99 PARP1 (0.36) PARP1HTR2AHTR2CKCNH2DRD2
SCHEMBL2198375 0.97 PARP1 (0.35) PARP1HTR2AHTR2CKCNH2DRD2
SCHEMBL2194206 0.97 PARP1 (0.35) PARP1HTR2AHTR2CKCNH2DRD2
SCHEMBL2197719 0.96 PARP1 (0.32) PARP1HTR2ADDB1CRBNATM
SCHEMBL2197530 0.80 DDB1 (0.33) PARP1DDB1CRBN
SCHEMBL2193923 0.80 PDE5A (0.38)
SCHEMBL2195540 0.79 PDE5A (0.38)
SCHEMBL2196306 0.78 PDE5A (0.37)
SCHEMBL2197165 0.77 CSF1R (0.38)
SCHEMBL2193128 0.77 PDE5A (0.36)

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 PARP1 151/4885HTR2A 3454/4885HTR2C 1902/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 PARP1 151/4885HTR2A 3454/4885HTR2C 1902/4885

“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.