SCHEMBL2642685

SCHEMBL2642685

COCc1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
KCNN4 O15554 1/20 0.39
PDK2 Q15119 1/20 0.38
RIPK1 Q13546 1/20 0.38
KMT2A Q03164 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MAOB P27338 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
ALKBH1 Q13686 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
CXCR2 P25025 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PRKCG P05129 1/20 0.35
MAPT P10636 1/20 0.35
PRKCA P17252 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 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
SCHEMBL5140181 0.82 IDO1 (0.45) IDO1RIPK1MAOBFFAR4ALKBH1
SCHEMBL155804 0.82 IDO1 (0.61) IDO1KCNN4MAOBL3MBTL1TAAR1
SCHEMBL13248030 0.81 KCNN4 (0.41) IDO1KCNN4PDK2KMT2AMAOB
SCHEMBL1145460 0.81 PDK2 (0.37) IDO1KCNN4PDK2KMT2ATAAR1
SCHEMBL19617017 0.79 GABRA1 (0.40) IDO1KCNN4PDK2KMT2AMAOB
SCHEMBL30188946 0.79 GABRA1 (0.40) IDO1KCNN4PDK2KMT2AMAOB
SCHEMBL2163625 0.79 HTT (0.40) IDO1KCNN4PDK2KMT2AMAOB
SCHEMBL12093169 0.79 ALDH1A1 (0.41) IDO1KCNN4PDK2KMT2ATAAR1
SCHEMBL15834275 0.79 IDO1 (0.41) IDO1PDK2RIPK1KMT2AFFAR4
SCHEMBL30663885 0.79 ALDH1A1 (0.41) IDO1KCNN4PDK2KMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018030550-A1 HETEROCYCLIC COMPOUNDS WITH AN ROR(GAMMA)T MODULATING ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-15 WO disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2015-09-17 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2012-08-30 US disclosed
US-8026366-B2 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-27 US disclosed
US-8026366-B2 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-27 US disclosed
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
US-20070208052-A1 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 US disclosed
US-20070208052-A1 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-06 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP disclosed
EP-0006978-A2 Benzyl esters with fluorinated ether and/or thioether groups, their preparations and their use as insecticides; intermediate products and their preparations BAYER AG (DE) 1980-01-23 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 (5 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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 IDO1 186/4885KCNN4 184/4885PDK2 2505/4885
US-20120220552-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 IDO1 229/4885KCNN4 208/4885PDK2 2451/4885
US-20070208052-A1 Aryloxy and arylalkyleneoxy substituted thiazoloquinolines and thiazolonaphthyridines IL2, TSLP, IFNG IDO1 195/4885KCNN4 4677/4885PDK2 906/4885
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK IDO1 2017/4885KCNN4 550/4885PDK2 15/4885
US-20150259331-A1 PROTOZOAN PARASITE GROWTH INHIBITORS TPP1, MKI67, PIGO IDO1 584/4885KCNN4 3931/4885PDK2 264/4885

“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.