SCHEMBL299630

SCHEMBL299630

O=C(O)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 2/20 0.49
NPC1 O15118 2/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.44
MAPK14 Q16539 5/20 0.44
MAPK7 Q13164 3/20 0.44
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HCAR1 Q9BXC0 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
SCHEMBL298212 0.87 POLB (0.51) POLBRAB9ASMN1; SMN2PKMNPC1
SCHEMBL300049 0.85 POLB (0.68) POLBRAB9ASMN1; SMN2PKMNPC1
SCHEMBL10042100 0.85 POLB (0.49) POLBSMN1; SMN2PKMNPC1KMT2A
SCHEMBL1507329 0.83 MAPK7 (0.48) POLBRAB9ASMN1; SMN2PKMNPC1
SCHEMBL298824 0.81 BAZ2B (0.55) POLBNPC1KMT2AGAAMAPK14
SCHEMBL298049 0.81 KMT2A (0.71) POLBRAB9ASMN1; SMN2PKMNPC1
SCHEMBL29190948 0.79 SMN1; SMN2 (0.65) POLBRAB9ASMN1; SMN2PKMNPC1
SCHEMBL10042102 0.77 MAPK14 (0.52) POLBKMT2AMAPK14MAPK7
SCHEMBL29191020 0.77 RAB9A (0.57) POLBRAB9ASMN1; SMN2PKMNPC1
SCHEMBL30874534 0.77 RAB9A (0.57) POLBRAB9ASMN1; SMN2PKMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
EP-2427452-A1 P38 KINASE INHIBITING AGENTS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
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-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 US 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
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 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
WO-2010129208-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 US 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 (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-20120040999-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 POLB 2065/4885RAB9A 401/4885SMN1; SMN2 3289/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 POLB 1822/4885RAB9A 391/4885SMN1; SMN2 3365/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 POLB 888/4885RAB9A 1004/4885SMN1; SMN2 3521/4885

“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.