SCHEMBL21606480

SCHEMBL21606480

CCOC(=O)c1nc(CC)n(-c2ccc(Br)c(OC)c2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
MAPT P10636 2/20 0.47
BRD9 Q9H8M2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RORC P51449 2/20 0.41
POLB P06746 1/20 0.41
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL21606477 0.86 HPGD (0.42) LMNABRD9ALDH1A1RORCGABRA2
SCHEMBL21606434 0.80 RORC (0.44) MAPTALDH1A1RORCGABRA2GABRB2
SCHEMBL21606668 0.80 RORC (0.63) LMNAMAPTBRD9RORCPOLB
SCHEMBL21606545 0.77 RORC (0.42) MAPTALDH1A1RORCGABRA2NPC1
SCHEMBL21606521 0.77 GABRA2 (0.48) LMNAMAPTALDH1A1POLBGABRA2
SCHEMBL21606473 0.73 RORC (0.61) LMNARORCGAA
SCHEMBL21606468 0.73 RORC (0.40) MAPTALDH1A1RORCGABRA2GABRB2
SCHEMBL21598068 0.72 GABRA2 (0.44) MAPTALDH1A1RORCGABRA2GABRB2
SCHEMBL29919727 0.72 RORC (0.64) RORC
SCHEMBL21606550 0.72 RORC (0.61) ALDH1A1RORCGABRA2GABRB2

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
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US 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 LMNA 4108/4885MAPT 334/4885BRD9 1008/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA LMNA 3911/4885MAPT 637/4885BRD9 1081/4885

“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.