SCHEMBL4067909

SCHEMBL4067909

[CH2][C@@H](N)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
AOC3 Q16853 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL27898423 1.00 IDO1 (0.48) IDO1TDO2GABBR2GABBR1AOC3
SCHEMBL3252261 0.77 IDO1 (0.52) IDO1TDO2GABBR2GABBR1AOC3
SCHEMBL933502 0.77 IDO1 (0.52) IDO1TDO2GABBR2GABBR1AOC3
SCHEMBL3544057 0.77 IDO1 (0.46) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL12568800 0.77 IDO1 (0.52) IDO1TDO2GABBR2GABBR1AOC3
SCHEMBL3675765 0.77 IDO1 (0.52) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL9906118 0.77 IDO1 (0.52) IDO1TDO2GABBR2GABBR1AOC3
SCHEMBL2008053 0.77 IDO1 (0.52) IDO1TDO2GABBR2GABBR1AOC3
Hydrochloric Acid SCHEMBL14119361 0.74 IDO1 (0.54) IDO1TDO2GABBR2GABBR1AOC3
SCHEMBL21994503 0.74 IDO1 (0.44) IDO1TDO2AOC3HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409903-B2 Benzyl substituted triazine derivatives and their therapeutical applications NANTBIOSCIENCE, INC. (US) 2016-08-09 US disclosed
US-20150057285-A1 BENZYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2015-02-26 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
CN-1968933-A Pyrazole derivatives useful for the treatment of cancer ASTRAZENECA AB (SE) 2007-05-23 CN 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-20150057285-A1 BENZYL SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS BAZ2A, BAZ2B, PRKCZ IDO1 3441/4885TDO2 3991/4885GABBR2 2639/4885

“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.