SCHEMBL18299983

SCHEMBL18299983

Cc1nc(C(F)(F)F)cc(I)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.36
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CHKA P35790 1/20 0.34
CA3 P07451 1/20 0.34
CDK8 P49336 1/20 0.34
CDK19 Q9BWU1 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PRMT6 Q96LA8 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL30303130 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL11985900 0.80 HSP90AA1 (0.42) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL21603492 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL17008992 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL18299583 0.77 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL30054247 0.77 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL19711936 0.77 HSP90AA1 (0.48) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL22030731 0.73 NOS3 (0.39) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL21865977 0.72 HSP90AA1 (0.52) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL17979496 0.72 HSP90AA1 (0.36) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A

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 HSP90AA1 2275/4885HSP90AB1 1925/4885KDM4E 1833/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885KDM4E 1833/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885KDM4E 1833/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885KDM4E 1833/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885KDM4E 1833/4885

“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.