SCHEMBL1507329

SCHEMBL1507329

O=C(O)c1cc(C(=O)c2c(F)cncc2F)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 9/20 0.48
MAPK14 Q16539 4/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL299630 0.83 POLB (0.50) MAPK7MAPK14POLBRAB9ASMN1; SMN2
SCHEMBL300049 0.82 POLB (0.68) MAPK7MAPK14POLBRAB9ASMN1; SMN2
SCHEMBL298212 0.81 POLB (0.51) MAPK7MAPK14POLBRAB9ASMN1; SMN2
SCHEMBL29191020 0.74 RAB9A (0.57) POLBRAB9ASMN1; SMN2NPC1HSP90AA1
SCHEMBL30874534 0.74 RAB9A (0.57) POLBRAB9ASMN1; SMN2NPC1HSP90AA1
SCHEMBL695984 0.74 HCAR2 (0.46) POLBGAAHCAR2KMT2A
SCHEMBL29190948 0.73 SMN1; SMN2 (0.65) POLBRAB9ASMN1; SMN2NPC1HSP90AA1
SCHEMBL17607058 0.73 MAPK14 (0.67) MAPK7MAPK14POLBRAB9ASMN1; SMN2
SCHEMBL17607055 0.73 MAPK7 (0.60) MAPK7RAB9ASMN1; SMN2NPC1HSP90AA1
SCHEMBL17607070 0.73 MAPK7 (0.63) MAPK7MAPK14POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300485-B1 PYRROLO-[2, 3-C]-PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2012-01-18 EP disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 US disclosed
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 US disclosed
EP-2300485-A1 PYRROLO Ý2, 3-C¨PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
WO-2009152072-A1 PYRROLO [2, 3-C] PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2009-12-17 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 (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-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 MAPK7 4/4885MAPK14 13/4885POLB 1822/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 MAPK7 37/4885MAPK14 33/4885POLB 888/4885

“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.