SCHEMBL833535

SCHEMBL833535

Cc1cc2c(N)ncnc2cc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 15/20 0.49
PI4KA P42356 2/20 0.49
PI4K2B Q8TCG2 2/20 0.49
PI4K2A Q9BTU6 2/20 0.49
PI4KB Q9UBF8 2/20 0.49
EGFR P00533 1/20 0.40
TGFBR1 P36897 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40

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
SCHEMBL30400679 0.84 PI4KA (0.55) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL10965960 0.84 PI4KA (0.55) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL14649524 0.84 PI4KA (0.55) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL9975356 0.81 EGFR (0.42) MAP4K4EGFRIRAK4
SCHEMBL25552038 0.78 EGFR (0.40) MAP4K4EGFRIRAK4
SCHEMBL13843541 0.78 MAP4K4 (0.50) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL17661303 0.78 MAP4K4 (0.49) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL282157 0.78 ENPP1 (0.44) EGFRIRAK4
SCHEMBL17661304 0.77 PDE5A (0.51) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL28755513 0.77 PI4KA (0.52) MAP4K4PI4KAPI4K2BPI4K2API4KB

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 14 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-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 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-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-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-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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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 (4 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 MAP4K4 4230/4885PI4KA 3221/4885PI4K2B 2874/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 MAP4K4 3359/4885PI4KA 3156/4885PI4K2B 2301/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT MAP4K4 3766/4885PI4KA 3568/4885PI4K2B 3045/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MAP4K4 3845/4885PI4KA 3322/4885PI4K2B 3079/4885

“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.