SCHEMBL21606465

SCHEMBL21606465

CCOC(=O)c1cn(-c2c(F)cc(Br)cc2F)c(CC)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 12/20 0.49
GABRB2 P47870 12/20 0.49
MLYCD O95822 2/20 0.41
RORC P51449 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 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
SCHEMBL21606483 0.85 GABRA2 (0.52) GABRA2GABRB2MLYCDALDH1A1SMN1; SMN2
SCHEMBL21606535 0.84 RORC (0.58) GABRA2GABRB2MLYCDRORCKDM4E
SCHEMBL21606685 0.80 RORC (0.55) GABRA2GABRB2MLYCDRORC
SCHEMBL21606460 0.80 GABRA2 (0.55) GABRA2GABRB2MLYCDKDM4EPOLB
SCHEMBL21606471 0.77 GABRA2 (0.44) GABRA2GABRB2KDM4EPOLBALDH1A1
SCHEMBL21606487 0.76 GABRA2 (0.44) GABRA2GABRB2KDM4EPOLBALDH1A1
SCHEMBL21606445 0.75 GABRA2 (0.43) GABRA2GABRB2KDM4EPOLBALDH1A1
SCHEMBL21606468 0.75 RORC (0.40) GABRA2GABRB2RORCALDH1A1
SCHEMBL21598054 0.74 GABRA2 (0.51) GABRA2GABRB2RORCALDH1A1SMN1; SMN2
SCHEMBL29917885 0.74 GABRA2 (0.51) GABRA2GABRB2RORCALDH1A1SMN1; SMN2

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 GABRA2 1319/4885GABRB2 1183/4885MLYCD 4822/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA GABRA2 1154/4885GABRB2 984/4885MLYCD 4785/4885

“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.