SCHEMBL19205693

SCHEMBL19205693

CC(C)(C)n1ncc(Br)c1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PTGS2 P35354 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
GAA P10253 1/20 0.33
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4322114 0.78 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL3489027 0.77 HTR2A (0.45) MAPK14PTGS2HTR2AHTR2CGAA
SCHEMBL15750607 0.76 KDM4E (0.43) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL19205727 0.76 KMT2A (0.42) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3488671 0.75 NR1H2 (0.35) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL3493215 0.75 KDM4E (0.50) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL15750500 0.74 KDM4E (0.45) MAPK14LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL15750567 0.74 KDM4E (0.36) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL19205741 0.74 RAB9A (0.43) MAPK14SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1556865 0.73 HTR2A (0.48) MAPK14MAPK13MAPK12MAPK11PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 CN disclosed
US-10988467-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2021-04-27 US disclosed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 EP disclosed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 EP disclosed
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2019-08-22 US disclosed
US-10344024-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2019-07-09 US disclosed
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-08-23 US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-9975887-B2 Compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2018-05-22 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 US disclosed
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-17 US 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-10988467-B2 Compounds as ROR gamma modulators RORB, RORA, RORC MAPK14 3083/4885MAPK13 2172/4885MAPK12 2145/4885
US-10344024-B2 Compounds as ROR gamma modulators RORB, RORA, RORC MAPK14 3083/4885MAPK13 2172/4885MAPK12 2145/4885
US-20190256508-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MAPK14 3120/4885MAPK13 2156/4885MAPK12 2221/4885
US-20180237428-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MAPK14 3415/4885MAPK13 3398/4885MAPK12 2951/4885
US-20170233380-A1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC MAPK14 3120/4885MAPK13 2156/4885MAPK12 2221/4885

“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.