SCHEMBL21607406

SCHEMBL21607406

CCOC(=O)c1nn(CCO)c(-c2ccc(Br)cc2OC)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.42
KDM1A O60341 1/20 0.41
SMAD3 P84022 2/20 0.41
APAF1 O14727 1/20 0.41
ESR1 P03372 1/20 0.40
ELANE P08246 3/20 0.39
CYP19A1 P11511 3/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 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
SCHEMBL21607632 0.91 RORC (0.45) RORCKDM1ASMAD3APAF1ESR1
SCHEMBL21607515 0.91 RORC (0.43) RORCSMAD3APAF1ELANECYP19A1
SCHEMBL21607457 0.89 RORC (0.46) RORCKDM1ASMAD3APAF1ESR1
SCHEMBL21607662 0.86 RORC (0.43) RORCKDM1ASMAD3APAF1ESR1
SCHEMBL23189838 0.84 CYP19A1 (0.39) RORCKDM1ASMAD3APAF1ELANE
SCHEMBL21607861 0.82 RORC (0.42) RORCKDM1ASMAD3APAF1ELANE
SCHEMBL21607654 0.81 RORC (0.47) RORCSMAD3APAF1ESR1
SCHEMBL21607565 0.80 ELANE (0.42) RORCKDM1ASMAD3APAF1ESR1
SCHEMBL21607568 0.80 RORC (0.43) RORCKDM1ASMAD3APAF1ESR1
SCHEMBL21607462 0.80 ELANE (0.43) RORCKDM1ASMAD3APAF1ESR1

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 RORC 1/4885KDM1A 869/4885SMAD3 1372/4885

“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.