SCHEMBL2887702

SCHEMBL2887702

Cc1c(N2CCN(C(=O)NC(C)(C)C)CC2=O)nnn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 11/20 0.45
HTT P42858 1/20 0.41
CSNK1D P48730 5/20 0.40
RIPK1 Q13546 1/20 0.39
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
PDK2 Q15119 1/20 0.37
ALOX12 P18054 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL2894048 0.86 RBP4 (0.44) CSNK1ECSNK1DGAA
SCHEMBL5483719 0.86 HTT (0.47) HTTTP53GAAPDK2ALOX12
SCHEMBL14582539 0.84 HTT (0.43) HTTTP53NPC1GAAALOX12
SCHEMBL2892750 0.84 GAA (0.51) CSNK1EHTTTP53NPC1RAB9A
SCHEMBL2893886 0.83 GPR119 (0.42) HTTTP53ALOX12
SCHEMBL2891520 0.72 P2RX7 (0.46)
SCHEMBL2894092 0.72 MEN1 (0.45) HTTNPC1GAA
SCHEMBL2889100 0.70 MEN1 (0.45) TP53
SCHEMBL2889747 0.70 SCN9A (0.49) TP53
SCHEMBL2890817 0.70 HTT (0.52) HTTTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B CSNK1E 602/4885HTT 2050/4885CSNK1D 458/4885

“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.