SCHEMBL16253003

SCHEMBL16253003

CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.58
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 1/20 0.52
RIOK2 Q9BVS4 1/20 0.51
RORC P51449 1/20 0.50
KDR P35968 2/20 0.49
CLK2 P49760 1/20 0.49
IRAK1 P51617 1/20 0.49
NEK4 P51957 1/20 0.49
MAP4K2 Q12851 1/20 0.49
HIPK4 Q8NE63 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP3K20 Q9NYL2 1/20 0.49
STK17A Q9UEE5 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
SORT1 Q99523 1/20 0.49
NR3C2 P08235 2/20 0.47

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
SCHEMBL26624236 0.85 AR (0.57) ARALDH1A1L3MBTL1GAARIOK2
SCHEMBL3192275 0.84 L3MBTL1 (0.55) ARALDH1A1L3MBTL1GAARIOK2
SCHEMBL1622259 0.83 AR (0.57) ARALDH1A1L3MBTL1GAARIOK2
SCHEMBL2635853 0.82 ALDH1A1 (0.56) ARALDH1A1L3MBTL1GAARIOK2
SCHEMBL31264157 0.82 ALDH1A1 (0.56) ARALDH1A1L3MBTL1GAARIOK2
SCHEMBL23060384 0.82 KDM4E (0.54) ARALDH1A1L3MBTL1GAARIOK2
SCHEMBL16637563 0.81 KDR (0.55) ARALDH1A1L3MBTL1GAARIOK2
SCHEMBL14809290 0.81 ABL1 (0.50) ARL3MBTL1RORCNR3C2LMNA
SCHEMBL5029590 0.81 NR3C2 (0.67) ARALDH1A1L3MBTL1GAARIOK2
SCHEMBL30875900 0.81 NR3C2 (0.67) ARALDH1A1L3MBTL1GAARIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 US disclosed
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-06-04 US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 US disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (6 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 AR 951/4885ALDH1A1 1767/4885L3MBTL1 3738/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 AR 951/4885ALDH1A1 1767/4885L3MBTL1 3738/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 AR 951/4885ALDH1A1 1767/4885L3MBTL1 3738/4885
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 AR 688/4885ALDH1A1 2533/4885L3MBTL1 4308/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 AR 951/4885ALDH1A1 1767/4885L3MBTL1 3738/4885
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 AR 951/4885ALDH1A1 1767/4885L3MBTL1 3738/4885

“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.