SCHEMBL18367553

SCHEMBL18367553

CC(C)(C)c1cnnn1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.34
HSD11B1 P28845 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
LGALS3 P17931 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
SCHEMBL19698033 0.91 HSD11B1 (0.39) ALDH1A1NPSR1HPGDMAPK1HSD11B1
SCHEMBL18377916 0.72
SCHEMBL24768423 0.68 HSD11B1 (0.34) HSD11B1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL2616420 0.67 ALDH1A1 (0.42) ALDH1A1NPSR1HPGDMAPK1
SCHEMBL15069885 0.67 MAPK13 (0.40) HSD11B1
SCHEMBL10226038 0.66 ALDH1A1 (0.41) ALDH1A1NPSR1HPGDMAPK1HSD11B1
SCHEMBL9944598 0.66 ALDH1A1 (0.41) ALDH1A1NPSR1HPGDMAPK1
SCHEMBL25857280 0.65 HSP90AA1 (0.40) HSD11B1
SCHEMBL22952743 0.65 PKM (0.42) NPSR1
SCHEMBL19703329 0.64 HSD11B1 (0.41) ALDH1A1NPSR1HPGDHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN RESEARCH & DEVELOPMENT, LLC 2022-12-22 US disclosed
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ALDH1A1 2149/4885NPSR1 3772/4885HPGD 864/4885
US-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 ALDH1A1 164/4885NPSR1 994/4885HPGD 567/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS ALDH1A1 2149/4885NPSR1 3772/4885HPGD 864/4885
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 ALDH1A1 164/4885NPSR1 994/4885HPGD 567/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS ALDH1A1 2149/4885NPSR1 3772/4885HPGD 864/4885

“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.