SCHEMBL1267338

SCHEMBL1267338

Cc1cc(Nc2c(C(=O)N3CCC[C@H]3CO)sc3c2ccc(=O)n3-c2ccccc2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
NTRK1 P04629 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SPHK2 Q9NRA0 1/20 0.34
KCNK3 O14649 1/20 0.33
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.33
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
RIPK1 Q13546 1/20 0.32
POLB P06746 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1266088 1.00 RAB9A (0.39) RAB9ATDP1HRH3NTRK1MEN1
SCHEMBL3829840 1.00 RAB9A (0.39) RAB9ATDP1HRH3NTRK1MEN1
SCHEMBL1267431 0.94 RAB9A (0.37) RAB9ATDP1HRH3MEN1KMT2A
SCHEMBL1267051 0.94 RAB9A (0.37) RAB9ATDP1HRH3MEN1KMT2A
SCHEMBL1267214 0.93 RAB9A (0.39) RAB9ATDP1HRH3MEN1KMT2A
SCHEMBL1266746 0.93 RAB9A (0.39) RAB9ATDP1HRH3MEN1KMT2A
SCHEMBL1266798 0.93 HRH3 (0.34) RAB9AHRH3HCRTR1HCRTR2NPSR1
SCHEMBL1265830 0.93 RAB9A (0.37) RAB9ATDP1HRH3MEN1KMT2A
SCHEMBL1265851 0.91 MALT1 (0.39) RAB9AHRH3NTRK1MEN1KMT2A
SCHEMBL1267358 0.91 MALT1 (0.39) RAB9AHRH3NTRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 US claimed
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 US claimed
US-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System INTERMUNE, INC. (US) 2011-02-10 US disclosed
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 US disclosed
US-7482452-B2 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2009-01-27 US disclosed
EP-1638980-B1 PROCESS FOR PREPARING 3-AMINOTHIENOPYRIDONE DERIVATIVES UCB PHARMA SA (BE) 2008-11-05 EP disclosed
US-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2007-08-16 US disclosed
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 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 (3 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-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives MAPK3, MAP3K6, MAP4K1 RAB9A 1925/4885TDP1 1834/4885HRH3 2718/4885
US-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 RAB9A 2993/4885TDP1 1781/4885HRH3 1577/4885
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor MAPK1, MAPKAPK2, MAPK6 RAB9A 891/4885TDP1 193/4885HRH3 1623/4885

“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.