SCHEMBL1715539

SCHEMBL1715539

CC(C)(C)N(Cc1nc2c(F)c(F)ccc2[nH]1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.41
EGLN1 Q9GZT9 2/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.37
SLC40A1 Q9NP59 1/20 0.35
CACNA1G O43497 2/20 0.34
CACNA1B Q00975 2/20 0.34
CACNA1C Q13936 2/20 0.34
CACNA1H O95180 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL20298187 0.78 TDP1 (0.38) CACNA1HTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16186542 0.77 CACNA1B (0.59) HRH4EGLN1PTGDR2SLC40A1CACNA1G
SCHEMBL4531936 0.72 EGLN1 (0.44) HRH4EGLN1PTGDR2SLC40A1CACNA1B
SCHEMBL12309205 0.71 CACNA1B (0.58) HRH4EGLN1SLC40A1CACNA1BCACNA1C
SCHEMBL4244757 0.71 TDP1 (0.39) TDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7478096 0.70 MEN1 (0.50) EGLN1CACNA1GCACNA1BTDP1MAPT
SCHEMBL23522705 0.69 PRKAG1 (0.56) EGLN1CACNA1GCACNA1H
SCHEMBL13157082 0.69 HRH4 (0.40) HRH4EGLN1PTGDR2SLC40A1CCNK
SCHEMBL31366744 0.69 EGLN1 (0.42) HRH4EGLN1SLC40A1CACNA1HCCNK
SCHEMBL12309204 0.69 EGLN1 (0.42) HRH4EGLN1SLC40A1CACNA1HCCNK

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 3 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

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

For each of this compound's patents that has machine-readable text (1 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-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 HRH4 1580/4885EGLN1 2829/4885PTGDR2 889/4885

“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.