SCHEMBL2824648

SCHEMBL2824648

CC(C)(C)COc1c(/C=C/c2nc3sccn3c2C(=O)Nc2nc(C3CC3)cs2)cccc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.37
TMIGD3 P0DMS9 3/20 0.37
ADORA2A P29274 2/20 0.34
PDE4B Q07343 3/20 0.32
MAP3K5 Q99683 1/20 0.32
TRPA1 O75762 2/20 0.31
CCR2 P41597 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
PDE4D Q08499 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
SCHEMBL2824650 1.00 ADORA1 (0.37) ADORA1TMIGD3ADORA2APDE4BMAP3K5
SCHEMBL2368454 0.97 TMIGD3 (0.34) ADORA1TMIGD3ADORA2APDE4BTRPA1
SCHEMBL2368446 0.97 TMIGD3 (0.34) ADORA1TMIGD3ADORA2APDE4BTRPA1
SCHEMBL13935135 0.90 ADORA1 (0.36) ADORA1TMIGD3ADORA2APDE4BPDE4D
SCHEMBL13935134 0.90 ADORA1 (0.36) ADORA1TMIGD3ADORA2APDE4BPDE4D
SCHEMBL13287379 0.90 ADORA1 (0.34) ADORA1TMIGD3ADORA2APDE4BMAP3K5
SCHEMBL2825309 0.89 PDE4B (0.37) ADORA1TMIGD3ADORA2APDE4BPDE4D
SCHEMBL2825310 0.89 PDE4B (0.37) ADORA1TMIGD3ADORA2APDE4BPDE4D
SCHEMBL2823658 0.89 NPC1 (0.37) MEN1TSHRKMT2A
SCHEMBL2828452 0.89 CSNK2A2 (0.32) PDE4B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318928-B2 Fused imidazole carboxamides as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-11-27 US claimed
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 US claimed
US-8318928-B2 Fused imidazole carboxamides as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-11-27 US disclosed
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 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 (1 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-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 ADORA1 1169/4885TMIGD3 624/4885ADORA2A 1264/4885

“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.