SCHEMBL3577890

SCHEMBL3577890

COC(=O)c1c(Br)c(F)cc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.38
TSHR P16473 2/20 0.38
TDO2 P48775 4/20 0.38
MAP2K4 P45985 1/20 0.37
PTPN6 P29350 1/20 0.36
IDO1 P14902 2/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 3/20 0.35
JAK3 P52333 3/20 0.35
ALPL P05186 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
METAP2 P50579 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL31381583 0.83 PTPN6 (0.39) TSHRTDO2MAP2K4PTPN6IDO1
SCHEMBL3577927 0.83 TSHR (0.38) TSHRTDO2MAP2K4IDO1HTT
SCHEMBL9941705 0.78 KDM4E (0.41) MAP4K1TSHRMAP2K4HTTCYP1A2
SCHEMBL543204 0.75 NOS1 (0.44) TSHRTDO2IDO1JAK2JAK1
SCHEMBL13132305 0.75 TDO2 (0.50) TSHRTDO2MAP2K4ALPLHTT
SCHEMBL25103996 0.75 TSHR (0.44) TSHRALPLHTTCYP1A2METAP2
SCHEMBL30929191 0.75 TSHR (0.44) TSHRALPLHTTCYP1A2METAP2
SCHEMBL27768071 0.75 TDO2 (0.36) MAP4K1TDO2PTPN6IDO1JAK2
SCHEMBL31638752 0.75 TSHR (0.38) MAP4K1TSHRMAP2K4PTPN6ALPL
SCHEMBL31107239 0.73 TSHR (0.36) MAP4K1TSHRALPLHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
EP-2098513-B1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-01-21 EP disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-8247429-B2 Tricyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
US-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF 00 2010-01-14 US disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP disclosed
EP-2098513-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP 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-20100010038-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH MAP4K1 4511/4885TSHR 328/4885TDO2 153/4885

“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.