SCHEMBL3576279

SCHEMBL3576279

COC(=O)c1c(Br)c(F)cc2nn(C)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.36
TSHR P16473 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
ADCY10 Q96PN6 1/20 0.32
GLA P06280 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
ADORA1 P30542 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
SCHEMBL3568981 0.84 KMT2A (0.39) PLA2G2ATSHRMAOAMAOBHTT
SCHEMBL544148 0.79 MAOA (0.41) PLA2G2AMAOAMAOBALDH1A1LMNA
SCHEMBL3577079 0.79 TSHR (0.36) PLA2G2ATSHRMAOAMAOBALDH1A1
SCHEMBL3581574 0.78 KMT2A (0.32) PLA2G2AMAOAMAOBALDH1A1POLB
SCHEMBL3581580 0.78 KMT2A (0.32) PLA2G2AMAOAMAOBALDH1A1POLB
SCHEMBL544050 0.76 TSHR (0.39) TSHRMAOAMAOBHTTALDH1A1
SCHEMBL25103339 0.76 TSHR (0.36) TSHRHTTALDH1A1POLBLMNA
SCHEMBL27789427 0.76 ALDH1A1 (0.34) MAOAMAOBALDH1A1POLBMAPT
SCHEMBL25103998 0.76 ADCY10 (0.36) TSHRPOLBMAPTLMNANPSR1
SCHEMBL27789428 0.74 SMN1; SMN2 (0.36) MAOAMAOBALDH1A1POLBMAPT

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 PLA2G2A 3890/4885TSHR 328/4885MAOA 88/4885

“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.