SCHEMBL1887433

SCHEMBL1887433

CN(C)c1ccc(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.42
DGAT1 O75907 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALOX12 P18054 2/20 0.38
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
CCR5 P51681 1/20 0.37
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
APLNR P35414 2/20 0.33
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2 Q05397 1/20 0.32
APP P05067 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 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
SCHEMBL18360453 0.82 CCR5 (0.44) PYCR1DGAT1SIRT2ALDH1A1NPC1
SCHEMBL979334 0.79 DGAT1 (0.41) PYCR1DGAT1SIRT2ALDH1A1NPC1
SCHEMBL6832796 0.77 ALDH1A1 (0.44) PYCR1DGAT1SIRT2ALDH1A1KDM1A
SCHEMBL24388655 0.77 TAAR1 (0.40) PYCR1DGAT1SIRT2ALDH1A1NPC1
SCHEMBL17420936 0.77 SIRT2 (0.48) PYCR1DGAT1SIRT2ALDH1A1NPC1
SCHEMBL3986851 0.77 SIRT2 (0.45) PYCR1DGAT1SIRT2APLNRGAA
SCHEMBL29508040 0.77 TAAR1 (0.40) PYCR1DGAT1SIRT2ALDH1A1NPC1
SCHEMBL9566865 0.76 ALOX15 (0.42) PYCR1ALDH1A1CCR5POLBMAPK1
SCHEMBL5716211 0.76 DDB1 (0.44) ALDH1A1MAPK1APP
SCHEMBL3406584 0.74 ALDH1A1 (0.39) ALDH1A1GAAKMT2APTK2SMN1; SMN2

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 US disclosed
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2021-06-01 US disclosed
US-20190282581-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-09-19 US disclosed
US-10322130-B2 Substituted chromenones as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-06-18 US disclosed
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-04-11 US disclosed
US-10220035-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-03-05 US disclosed
EP-2705029-B1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS S A (CH) 2018-10-24 EP disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-9775841-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 US disclosed
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-08 US disclosed
US-7947255-B2 Exposing cell or extract to 4-(4-(dimethylamino)phenyl)-1-methylpyridinium iodide; high speed screening; kits VANDERBILT UNIVERSITY (US) 2011-05-24 US disclosed
WO-2010047982-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-29 WO disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed
US-20080108102-A1 FLUORESCENT SUBSTRATES FOR NEUROTRANSMITTER TRANSPORTERS VANDERBILT UNIVERSITY 2008-05-08 US disclosed
WO-2008021870-A1 FLUORESCENT SUBSTRATES FOR NEUROTRANSMITTER TRANSPORTERS VANDERBILT UNIVERSITY (US) 2008-02-21 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 (9 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-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PYCR1 3760/4885DGAT1 1715/4885SIRT2 2043/4885
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases MAP4K2, MAP3K20, MAP3K1 PYCR1 588/4885DGAT1 2370/4885SIRT2 1842/4885
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKAR2B PYCR1 3294/4885DGAT1 2879/4885SIRT2 1902/4885
US-10220035-B2 Compounds as modulators of protein kinases PRKCA, PRKCH, PRKCE PYCR1 3796/4885DGAT1 1573/4885SIRT2 2258/4885
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PYCR1 1790/4885DGAT1 763/4885SIRT2 203/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PYCR1 3760/4885DGAT1 1715/4885SIRT2 2043/4885
US-20190282581-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB PYCR1 3760/4885DGAT1 1715/4885SIRT2 2043/4885
US-20110218174-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PYCR1 1790/4885DGAT1 763/4885SIRT2 203/4885
US-10322130-B2 Substituted chromenones as modulators of protein kinases MAP3K1, CSNK1A1, MAP3K2 PYCR1 628/4885DGAT1 3707/4885SIRT2 1025/4885

“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.