SCHEMBL832565

SCHEMBL832565

Cc1nn(C(=O)OC(C)(C)C)c2cc(F)c(CBr)cc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.35
DPP4 P27487 1/20 0.34
FAAH O00519 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 2/20 0.32
HTR6 P50406 1/20 0.31
SCN5A Q14524 1/20 0.31
ELANE P08246 1/20 0.30
CACNA1H O95180 2/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL30316429 0.84 MAP2K4 (0.36) MAP2K4FAAHSCN9ASCN5AELANE
SCHEMBL832980 0.84 MAP2K4 (0.38) MAP2K4DPP4FAAHSCN9ASCN5A
SCHEMBL10143378 0.83 MAP2K4 (0.34) MAP2K4DPP4FAAHHTR6
SCHEMBL8212259 0.76 MAP2K4 (0.40) MAP2K4SCN9AELANE
SCHEMBL22359328 0.76 SCN9A (0.39) MAP2K4SCN9ACACNA1HGPR119
SCHEMBL24736238 0.74 BACE1 (0.34) MAP2K4SCN9A
SCHEMBL30606441 0.74 BACE1 (0.34) MAP2K4SCN9A
SCHEMBL20804451 0.74 FAAH (0.35) MAP2K4FAAHELANE
SCHEMBL11232 0.74 PDGFRA (0.47) MAP2K4ELANE
SCHEMBL931118 0.74 ELANE (0.43) MAP2K4ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8268803-B2 5, 6-ring annulated indole derivatives and use thereof MERCK SHARP & DOHME CORP. (US) 2012-09-18 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2010-12-23 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 MAP2K4 3791/4885DPP4 234/4885FAAH 1036/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 MAP2K4 3895/4885DPP4 122/4885FAAH 420/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT MAP2K4 3125/4885DPP4 299/4885FAAH 555/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MAP2K4 3671/4885DPP4 216/4885FAAH 255/4885
US-20100322901-A1 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF IDO1, IDO2, TPH1 MAP2K4 4514/4885DPP4 538/4885FAAH 972/4885

“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.