SCHEMBL18299583

SCHEMBL18299583

Cc1nc(C(F)(F)F)cc(N)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
CDK8 P49336 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.35
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
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 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
SCHEMBL17008992 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19CA2
SCHEMBL21865977 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19CA2
SCHEMBL30303130 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19CA2
SCHEMBL18299983 0.77 HSP90AA1 (0.48) HSP90AA1HSP90AB1CDK8CDK19CA2
SCHEMBL9209139 0.73 NCF1 (0.41) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL21603492 0.72 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDK8CDK19CA2
SCHEMBL11985900 0.72 HSP90AA1 (0.42) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL16543893 0.72 CDK8 (0.46) HSP90AA1HSP90AB1CDK8CDK19KDM4E
SCHEMBL25136962 0.69 TDP1 (0.37) KDM4EKMT2ACYP3A4
SCHEMBL31746719 0.69 TERT (0.34) CYP3A4TSHR

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 18 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
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
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016198908-A1 ROR 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 HSP90AA1 2275/4885HSP90AB1 1925/4885CDK8 2142/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885CDK8 2142/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885CDK8 2142/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885CDK8 2142/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 HSP90AA1 2275/4885HSP90AB1 1925/4885CDK8 2142/4885

“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.