SCHEMBL21606203

SCHEMBL21606203

CCOC(=O)c1cc(-c2cnccc2OC(F)F)n(CC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 3/20 0.38
▸ NR1H2 P55055 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35

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
SCHEMBL21605639 0.88 FAAH (0.41) FAAHKMT2AMEN1ALDH1A1GAA
SCHEMBL21605630 0.85 FAAH (0.43) FAAHKMT2AMEN1ALDH1A1GAA
SCHEMBL21605651 0.82 FAAH (0.41) FAAHKMT2AGABRPGABRDGABRA1
SCHEMBL21605707 0.82 FAAH (0.43) FAAHKMT2AMEN1ALDH1A1GAA
SCHEMBL21607426 0.81 FAAH (0.41) FAAHKMT2AMEN1ALDH1A1GAA
SCHEMBL21605501 0.79 FAAH (0.41) FAAHKMT2AMEN1ALDH1A1GAA
SCHEMBL21606001 0.78 RORC (0.44) —
SCHEMBL29724936 0.77 RORC (0.55) —
SCHEMBL21605491 0.77 RORC (0.55) —
SCHEMBL21605613 0.77 FAAH (0.39) FAAHKMT2AMEN1ALDH1A1GAA

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
EP-3806958-B1 6-AMINOPYRIDIN-3-YL PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 — — EP disclosed
US-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 — — US disclosed
US-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 — — US disclosed
CN-112292183-A 6-aminopyridin-3-yl-pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-01-29 — — CN disclosed
WO-2019244001-A1 6-AMINOPYRIDIN-3-YL 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-10975057-B2 6-aminopyridin-3-yl pyrazoles as modulators of RORgT RORC, RORA, RORB FAAH 3543/4885KMT2A 878/4885MEN1 4477/4885

“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.

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