SCHEMBL5117318

SCHEMBL5117318

CO/N=C1/CCc2cc(C(=O)C(CC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)c3ccncc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GRIN2B Q13224 7/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
USP30 Q70CQ3 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
LNPEP Q9UIQ6 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL5117324 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL5104915 0.93 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL5204449 0.93 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL6610557 0.85 PARP1 (0.37) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL6610559 0.85 PARP1 (0.37) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL22589283 0.82 CHRM2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL5116104 0.81 HSD11B1 (0.37) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL5116099 0.81 HSD11B1 (0.37) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL22589355 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL5725923 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6

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-7452906-B2 Pyridine derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2008-11-18 US disclosed
EP-1423384-B1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2007-05-23 EP disclosed
US-20040235843-A1 Pyridine derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-25 US disclosed
EP-1423384-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-02 EP disclosed
WO-2003022840-A1 PYRIDINE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2003-03-20 WO 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-20040235843-A1 Pyridine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF SMN1; SMN2 2498/4885NPC1 2752/4885RAB9A 1357/4885

“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.