SCHEMBL2196243

SCHEMBL2196243

Cn1nc(C2CCCCC2)[nH]c1=[Pt].IN(I)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.33
ADORA2B P29275 3/20 0.33
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA1 P30542 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
SCHEMBL2195966 0.97 ADORA2A (0.33) ADORA2AADORA2BLMNACYP1A2CYP3A4
SCHEMBL2268158 0.97 ADORA2A (0.33) ADORA2AADORA2BLMNACYP1A2CYP3A4
SCHEMBL2192944 0.97 ADORA2A (0.33) ADORA2AADORA2BLMNACYP1A2CYP3A4
SCHEMBL2196124 0.80 ADORA2A (0.32) ADORA2AADORA2BLMNACYP1A2CYP3A4
SCHEMBL2198292 0.77 ADORA3 (0.38) ADORA2AADORA2BLMNAADORA3ADORA1
SCHEMBL2192454 0.76 ADORA1 (0.38) ADORA2AADORA2BSMN1; SMN2ADORA1
SCHEMBL2195657 0.76 ADORA1 (0.41) ADORA1
SCHEMBL2193146 0.76 LSS (0.38) CYP3A4ADORA3MAPK1SMN1; SMN2ADORA1
SCHEMBL2193784 0.76 MAPK14 (0.36) ADORA2AADORA2BLMNASMN1; SMN2ADORA1
SCHEMBL2192374 0.76 MEN1 (0.31) ADORA2AADORA2B

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 ADORA2A 518/4885ADORA2B 310/4885LMNA 2301/4885
US-20110172199-A1 PLATINUM-N-HETEROCYCLIC CARBENE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SCO2, C3AR1, IDH1 ADORA2A 518/4885ADORA2B 310/4885LMNA 2301/4885

“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.