SCHEMBL300049

SCHEMBL300049

O=C(O)c1cc(C(=O)c2c(F)cccc2F)c[nH]1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
MAPK7 Q13164 10/20 0.59
MAPK14 Q16539 6/20 0.59
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
HSP90AA1 P07900 1/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.50
YTHDC1 Q96MU7 1/20 0.47
DOT1L Q8TEK3 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL17607070 0.90 MAPK7 (0.63) POLBMAPK7MAPK14PKMDOT1L
SCHEMBL17607056 0.90 POLB (0.60) POLBMAPK7MAPK14RAB9ASMN1; SMN2
SCHEMBL31114409 0.90 MAPK7 (0.63) POLBMAPK7MAPK14RAB9ASMN1; SMN2
SCHEMBL299630 0.85 POLB (0.50) POLBMAPK7MAPK14RAB9ASMN1; SMN2
SCHEMBL1507426 0.84 MAPK14 (0.59) POLBMAPK7MAPK14RAB9ASMN1; SMN2
SCHEMBL17607058 0.84 MAPK14 (0.67) POLBMAPK7MAPK14RAB9ASMN1; SMN2
SCHEMBL30874562 0.84 RAB9A (0.52) POLBMAPK7MAPK14RAB9ASMN1; SMN2
SCHEMBL29190944 0.84 RAB9A (0.52) POLBMAPK7MAPK14RAB9ASMN1; SMN2
SCHEMBL298212 0.82 POLB (0.51) POLBMAPK7MAPK14RAB9ASMN1; SMN2
SCHEMBL1507329 0.82 MAPK7 (0.48) POLBMAPK7MAPK14RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344017-B2 Pyrrolcarboxamide derivatives for the inhibition of ERK5 CANCER RESEARCH TECH LTD (GB) 2019-07-09 US disclosed
US-20180170911-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHIBITION OF ERK5 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-06-21 US disclosed
EP-3194390-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 Cancer Research Technology Ltd (GB) 2017-07-26 EP disclosed
WO-2016042341-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-03-24 WO 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 2065/4885MAPK7 4/4885MAPK14 13/4885
US-20180170911-A1 PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHIBITION OF ERK5 MAPKAPK5, MAP3K5, MAPK15 POLB 1445/4885MAPK7 38/4885MAPK14 14/4885
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 POLB 1822/4885MAPK7 4/4885MAPK14 13/4885
US-10344017-B2 Pyrrolcarboxamide derivatives for the inhibition of ERK5 MAPKAPK5, MAP3K5, MAPK15 POLB 1445/4885MAPK7 38/4885MAPK14 14/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 POLB 888/4885MAPK7 37/4885MAPK14 33/4885

“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.