Sugi Predict

Sugi Predict / Compounds / SCHEMBL21606545

SCHEMBL21606545

SCHEMBL21606545

CCOC(=O)c1nc(CC)n(-c2ncc(Br)cc2OC)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 8/20 0.42
▸ GABRA1 P14867 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.37

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
SCHEMBL21606475 0.89 RORC (0.46) RORC
SCHEMBL21606457 0.88 OPRK1 (0.39) RORCGABRA1GABRA5GABRA3GABRA2
SCHEMBL21606529 0.85 RORC (0.45) RORCGABRA1GABRA5GABRA3GABRA2
SCHEMBL24463927 0.82 RORC (0.44) RORC
SCHEMBL21606434 0.82 RORC (0.44) RORCGABRA1GABRA5GABRA3GABRA2
SCHEMBL21606486 0.81 RORC (0.64) RORC
SCHEMBL29620643 0.79 RORC (0.47) RORC
SCHEMBL21598060 0.79 RORC (0.45) RORCOPRK1ALDH1A1MAPTNPC1
SCHEMBL21606480 0.77 LMNA (0.47) RORCGABRA2ALDH1A1MAPTNPC1
SCHEMBL21606347 0.77 GABRA2 (0.42) GABRA5GABRA2GABRG2GABRB3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 — — US disclosed
EP-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 — — EP disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 — — US disclosed
CN-112334450-A Phenyl and pyridyl substituted imidazoles as modulators of ROR γ t 詹森药业有限公司 2021-02-05 — — CN disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — 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 (2 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-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA RORC 1/4885GABRA1 1119/4885GABRA5 1128/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA RORC 1/4885GABRA1 944/4885GABRA5 867/4885

“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.