SCHEMBL3297380

SCHEMBL3297380

Fc1ccc(CC[Zn]Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
MAOB P27338 1/20 0.43
IDO1 P14902 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
AOC3 Q16853 1/20 0.42
FFAR1 O14842 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
AGXT P21549 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5201 0.77 IDO1 (0.48) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL7437052 0.76 TAAR1 (0.68) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL1799301 0.75 TDP1 (0.52) TAAR1MAOBLOXL2
SCHEMBL624406 0.72 TAAR1 (0.56) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL1319570 0.72 TAAR1 (0.56) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL10574057 0.71 TAAR1 (0.62) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL2320532 0.71 TAAR1 (0.62) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL10571903 0.69 TAAR1 (0.59) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL755085 0.69 TAAR1 (0.59) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL129246 0.69 TAAR1 (0.67) TAAR1MAOBIDO1LOXL2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045009-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d] PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed
US-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-15 US disclosed
WO-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO 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-20100093721-A1 PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B TAAR1 113/4885MAOB 210/4885IDO1 342/4885

“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.