SCHEMBL21607431

SCHEMBL21607431

CCOC(=O)c1nn(CC)c(-c2ccc(Br)cc2C(C)C)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 2/20 0.42
APAF1 O14727 1/20 0.42
RORC P51449 3/20 0.41
KDM1A O60341 1/20 0.40
CYP19A1 P11511 4/20 0.40
ELANE P08246 4/20 0.40
ESR1 P03372 1/20 0.39
MAPT P10636 1/20 0.39
NPBWR1 P48145 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 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
SCHEMBL21607462 0.88 ELANE (0.43) SMAD3APAF1RORCKDM1ACYP19A1
SCHEMBL21607517 0.87 ELANE (0.43) SMAD3APAF1KDM1ACYP19A1ELANE
SCHEMBL21607861 0.86 RORC (0.42) SMAD3APAF1RORCKDM1ACYP19A1
SCHEMBL21607569 0.86 ELANE (0.42) SMAD3APAF1RORCKDM1ACYP19A1
SCHEMBL21607568 0.86 RORC (0.43) SMAD3APAF1RORCKDM1ACYP19A1
SCHEMBL21607467 0.85 ALOX5 (0.43) SMAD3APAF1RORCKDM1ACYP19A1
SCHEMBL21607515 0.84 RORC (0.43) SMAD3APAF1RORCCYP19A1ELANE
SCHEMBL21598374 0.83 RORC (0.45) RORC
SCHEMBL21607598 0.82 RORC (0.43) SMAD3APAF1RORCKDM1ACYP19A1
SCHEMBL21605560 0.82 RORC (0.44) RORCNPBWR1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 US disclosed
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed
WO-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES 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 (1 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-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA SMAD3 1372/4885APAF1 3565/4885RORC 1/4885

“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.