SCHEMBL1265830

SCHEMBL1265830

Cc1cc(Nc2c(C(=O)N3CCC[C@@H]3CO)sc3c2ccc(=O)n3-c2ccc(Cl)cc2)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
SLC22A12 Q96S37 1/20 0.35
GRM5 P41594 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
TRPC3 Q13507 3/20 0.33
TRPC6 Q9Y210 3/20 0.33
TRPA1 O75762 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
POLB P06746 1/20 0.33
PTGS2 P35354 2/20 0.32
EGFR P00533 1/20 0.32
CCR1 P32246 3/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 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
SCHEMBL1267431 0.95 RAB9A (0.37) RAB9ATDP1HRH3TRPA1MEN1
SCHEMBL1267051 0.95 RAB9A (0.37) RAB9ATDP1HRH3TRPC3TRPC6
SCHEMBL1266088 0.93 RAB9A (0.39) RAB9ATDP1HRH3POLBMEN1
SCHEMBL3829840 0.93 RAB9A (0.39) RAB9ATDP1HRH3POLBMEN1
SCHEMBL1267338 0.93 RAB9A (0.39) RAB9ATDP1HRH3POLBMEN1
SCHEMBL1267214 0.90 RAB9A (0.39) RAB9ATDP1HRH3MEN1NPC1
SCHEMBL1266746 0.90 RAB9A (0.39) RAB9ATDP1HRH3MEN1NPC1
SCHEMBL1267550 0.89 RAB9A (0.37) RAB9AGRM5TDP1HRH3EGFR
SCHEMBL1267553 0.89 RAB9A (0.37) RAB9AGRM5TDP1HRH3EGFR
SCHEMBL1267358 0.87 MALT1 (0.39) RAB9AHRH3EGFRMEN1KMT2A

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-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-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 (2 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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 RAB9A 2993/4885SLC22A12 4657/4885GRM5 1020/4885
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 891/4885SLC22A12 4377/4885GRM5 996/4885

“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.