SCHEMBL2824658

SCHEMBL2824658

COc1cccc(C=Cc2nc3ccncn3c2C(=O)Nc2nc(C(F)(F)F)cs2)c1OCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.35
MAPK1 P28482 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM5 P41594 1/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL2827321 0.93 MPL (0.33) MPLSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL2824729 0.86 MAPK1 (0.36) MPLMAPK1ROCK2ROCK1SMN1; SMN2
SCHEMBL2824727 0.86 MAPK1 (0.36) MPLMAPK1ROCK2ROCK1SMN1; SMN2
SCHEMBL2827653 0.83 MPL (0.32) MPLSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL2829776 0.82 ACMSD (0.38) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2375628 0.81 MAPK1 (0.42) MAPK1SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL2375624 0.81 MAPK1 (0.42) MAPK1SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL2824775 0.80 TMIGD3 (0.33) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2829873 0.80 MAPK1 (0.42) MAPK1SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL2829876 0.80 MAPK1 (0.42) MAPK1SMN1; SMN2TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MPL 4580/4885MAPK1 2141/4885ROCK2 3148/4885

“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.