SCHEMBL21606482

SCHEMBL21606482

CCOC(=O)c1nc(CC)n(-c2ccc(Br)cc2OC)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
ELANE P08246 2/20 0.40
GABRA2 P47869 2/20 0.40
SLC26A6 Q9BXS9 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA6 Q16445 1/20 0.40
TARBP2 Q15633 1/20 0.39
GABRB2 P47870 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL21606489 0.89 RORC (0.44) RORCMAPTGABRG2GABRB3GABRA5
SCHEMBL21606434 0.87 RORC (0.44) RORCMAPTGABRG2GABRB3GABRA5
SCHEMBL29917724 0.86 RORC (0.41) RORCGABRA2GABRB2ALDH1A1SMN1; SMN2
SCHEMBL21606467 0.84 RORC (0.44) RORCGABRG2GABRB3GABRA5ELANE
SCHEMBL29917540 0.84 RORC (0.44) RORCGABRG2GABRB3GABRA5ELANE
SCHEMBL21606678 0.81 RORC (0.42) RORCGABRA2GABRB2ALDH1A1SMN1; SMN2
SCHEMBL21598054 0.77 GABRA2 (0.51) RORCGABRG2GABRB3GABRA5GABRA2
SCHEMBL29917885 0.77 GABRA2 (0.51) RORCGABRG2GABRB3GABRA5GABRA2
SCHEMBL21598068 0.77 GABRA2 (0.44) RORCMAPTGABRG2GABRB3GABRA5
SCHEMBL21606453 0.75 RORC (0.47) RORCALDH1A1KDM4E

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 1/4885LMNA 4108/4885MAPT 334/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA RORC 1/4885LMNA 3911/4885MAPT 637/4885

“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.