SCHEMBL18299263

SCHEMBL18299263

C=CCNc1c(I)cc(C(F)(F)F)nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.43
ALPI P09923 2/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GAA P10253 1/20 0.31
INSR P06213 1/20 0.30
IGF1R P08069 1/20 0.30
FGFR1 P11362 1/20 0.30
KDR P35968 1/20 0.30
FABP4 P15090 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL21866613 0.85 ALDH1A1 (0.42) ALPLALPIALDH1A1HPGDKDM4E
SCHEMBL18299485 0.75 RAPGEF4 (0.38) ALPLALPIALDH1A1LMNA
SCHEMBL11985900 0.69 HSP90AA1 (0.42) ALPLALPIALDH1A1HPGDKDM4E
SCHEMBL21866586 0.68 RAPGEF4 (0.43) ALPLALPIALDH1A1GAALMNA
SCHEMBL18299983 0.66 HSP90AA1 (0.48) ALDH1A1KDM4EHSD17B10KMT2AHSP90AA1
SCHEMBL7934702 0.63 ATM (0.43) ALPLALPIALDH1A1HPGDKDM4E
SCHEMBL7933961 0.61 KDM4E (0.43) ALPLALPIALDH1A1HPGDKDM4E
SCHEMBL3222871 0.61 LMNA (0.36) ALPLALPIALDH1A1KDM4EMEN1
SCHEMBL19712045 0.61 HPGD (0.38) ALDH1A1HPGDKDM4EATMHSD17B10
SCHEMBL1506604 0.60 LMNA (0.42) KDM4EHSP90AA1HSP90AB1GAALMNA

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
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
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 ALPL 2187/4885ALPI 1083/4885ALDH1A1 940/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 ALPL 2187/4885ALPI 1083/4885ALDH1A1 940/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALPL 2187/4885ALPI 1083/4885ALDH1A1 940/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALPL 2187/4885ALPI 1083/4885ALDH1A1 940/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 ALPL 2187/4885ALPI 1083/4885ALDH1A1 940/4885

“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.