SCHEMBL18299177

SCHEMBL18299177

Cc1cc(C(F)(F)F)cc2c1c(I)nn2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KIF11 P52732 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ GABRA4 P48169 1/20 0.31
▸ GABRE P78334 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
SCHEMBL20757046 0.83 ADORA2A (0.41) KDM4EALDH1A1KIF11ADORA2AADORA2B
SCHEMBL18298902 0.76 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL18299013 0.76 KDM4E (0.35) KDM4EALDH1A1GAARORCMCL1
SCHEMBL27170063 0.76 ADORA2A (0.37) ADORA2AADORA2B
SCHEMBL29985301 0.76 ADORA2A (0.37) ADORA2AADORA2B
SCHEMBL14736647 0.73 KIF11 (0.49) KDM4EALDH1A1KIF11ADORA2AADORA2B
SCHEMBL31393091 0.71 LMNA (0.34) ALDH1A1ADORA2AADORA2BGAA
SCHEMBL14737962 0.70 KIF11 (0.41) KDM4EALDH1A1KIF11RORC
SCHEMBL26123446 0.70 CYP11B1 (0.34) —
SCHEMBL531949 0.65 RAPGEF4 (0.42) ALDH1A1GABRPGABRDGABRA1GABRB1

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
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
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 — — 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 (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 KDM4E 1833/4885ALDH1A1 940/4885KIF11 4549/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 KDM4E 1833/4885ALDH1A1 940/4885KIF11 4549/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 KDM4E 1833/4885ALDH1A1 940/4885KIF11 4549/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 KDM4E 1833/4885ALDH1A1 940/4885KIF11 4549/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 KDM4E 1833/4885ALDH1A1 940/4885KIF11 4549/4885

“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.

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