SCHEMBL18299332

SCHEMBL18299332

Cc1cc(C(F)(F)F)cc2[nH]nc(I)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.37
METAP2 P50579 4/20 0.37
CYP1A2 P05177 2/20 0.37
MAPK14 Q16539 1/20 0.35
TRPA1 O75762 4/20 0.34
NOTUM Q6P988 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPBWR1 P48145 1/20 0.34
DHODH Q02127 1/20 0.33
GSK3B P49841 1/20 0.33
MAPK1 P28482 2/20 0.32
MAP2K4 P45985 2/20 0.32
MAPK6 Q16659 2/20 0.32
GRM4 Q14833 1/20 0.32
MAPKAPK5 Q8IW41 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
CACNA1G O43497 1/20 0.31

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
SCHEMBL20756446 0.82 IKBKB (0.39) IKBKBMETAP2CYP1A2MAPK14TRPA1
SCHEMBL29344157 0.76
SCHEMBL29937140 0.76
SCHEMBL30586177 0.70 TRPA1 (0.55) METAP2TRPA1GSK3BMAPK1MAP2K4
SCHEMBL1513093 0.70 TRPA1 (0.55) METAP2TRPA1GSK3BMAPK1MAP2K4
SCHEMBL26126774 0.69 TNKS (0.32)
SCHEMBL31393082 0.68 DYRK1A (0.32) NOTUM
SCHEMBL31190844 0.67 MAPK1 (0.51) IKBKBCYP1A2KDM4EGSK3BMAPK1
SCHEMBL14631680 0.67 MAPK1 (0.51) IKBKBCYP1A2KDM4EGSK3BMAPK1
SCHEMBL14631813 0.67 MAP2K4 (0.56) METAP2TRPA1KDM4EGSK3BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 EP disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 IKBKB 347/4885METAP2 3656/4885CYP1A2 284/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 IKBKB 347/4885METAP2 3656/4885CYP1A2 284/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 IKBKB 347/4885METAP2 3656/4885CYP1A2 284/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 IKBKB 347/4885METAP2 3656/4885CYP1A2 284/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 IKBKB 347/4885METAP2 3656/4885CYP1A2 284/4885

“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.