SCHEMBL21606468

SCHEMBL21606468

CCOC(=O)c1nc(CC)n(-c2c(F)cc(Br)cc2F)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.40
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR9 Q9NR96 1/20 0.38
GABRA2 P47869 4/20 0.37
GABRB2 P47870 4/20 0.37
GLP1R P43220 1/20 0.37
TARBP2 Q15633 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP19A1 P11511 1/20 0.35
GPR35 Q9HC97 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL21606539 0.86 RORC (0.41) RORC
SCHEMBL21598068 0.85 GABRA2 (0.44) RORCMAPTALDH1A1NPSR1GABRA2
SCHEMBL21606481 0.84 RORC (0.55) RORCMAPTNPC1ALDH1A1TP53
SCHEMBL21606495 0.81 RORC (0.60) RORC
SCHEMBL21606477 0.81 HPGD (0.42) RORCNPC1ALDH1A1TP53MAPK1
SCHEMBL21606457 0.77 OPRK1 (0.39) RORCMAPTNPC1ALDH1A1TP53
SCHEMBL21606434 0.75 RORC (0.44) RORCMAPTALDH1A1GABRA2GABRB2
SCHEMBL21606465 0.75 GABRA2 (0.49) RORCALDH1A1GABRA2GABRB2
SCHEMBL21606545 0.74 RORC (0.42) RORCMAPTNPC1ALDH1A1TP53
SCHEMBL29917631 0.71 RORC (0.61) RORC

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 6 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
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 1/4885MAPT 334/4885NPC1 3702/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA RORC 1/4885MAPT 637/4885NPC1 3538/4885

“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.