SCHEMBL1715909

SCHEMBL1715909

CC(C)(C)OC(=O)NCc1nc2cc(C(=O)O)cnc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNA1C Q13936 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.40
KDM4A O75164 1/20 0.38
BCHE P06276 1/20 0.38
BRD4 O60885 1/20 0.38
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
MAPT P10636 2/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35

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
SCHEMBL1507345 0.90 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL24507620 0.81 CACNA1H (0.52) CACNA1HCACNA1BCACNA1CKDM4ABCHE
SCHEMBL29615656 0.81 CACNA1H (0.52) CACNA1HCACNA1BCACNA1CKDM4ABCHE
SCHEMBL12309220 0.77 MEN1 (0.42) KDM4EMAPTRECQLNPSR1MEN1
SCHEMBL17802488 0.75 KDM4E (0.45) L3MBTL1KDM4ABRD4DYRK1AKDM4E
SCHEMBL31565511 0.74 NAMPT (0.43) L3MBTL1KDM4AKDM4ELMNANAMPT
SCHEMBL10080147 0.74 MGAM (0.41) CACNA1HKDM4ELMNARECQLNPSR1
SCHEMBL15862073 0.74 NAMPT (0.39) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL1815335 0.74 CACNA1H (0.45) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A
SCHEMBL1507162 0.74 CACNA1H (0.51) CACNA1HCACNA1BCACNA1CL3MBTL1KDM4A

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 4 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
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 (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 CACNA1H 4818/4885CACNA1B 4867/4885CACNA1C 4841/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 CACNA1H 4814/4885CACNA1B 4870/4885CACNA1C 4859/4885

“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.