SCHEMBL19212976

SCHEMBL19212976

C=C(Oc1ccc(C)nc1)C(=O)c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.65
CYP11B2 P19099 3/20 0.65
KMT2A Q03164 8/20 0.46
MEN1 O00255 2/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
MAPT P10636 3/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL19213001 0.86 CYP11B1 (0.62) CYP11B1CYP11B2KMT2AMEN1CES2
SCHEMBL17723958 0.79 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL30634449 0.79 CYP11B1 (1.00) CYP11B1CYP11B2
SCHEMBL19212998 0.79 CYP11B1 (0.58) CYP11B1CYP11B2KMT2AMEN1CES2
SCHEMBL19213002 0.73 CYP11B1 (0.64) CYP11B1CYP11B2KMT2ACES2CES1
SCHEMBL19212925 0.73 CYP11B1 (0.49) CYP11B1CYP11B2KMT2ACES2CES1
SCHEMBL8672590 0.72 CES2 (0.61) CYP11B1KMT2AMEN1CES2CES1
SCHEMBL2525492 0.70 KMT2A (0.55) CYP11B1CYP11B2KMT2AMEN1MAPT
SCHEMBL7866641 0.68 KMT2A (0.57) CYP11B1CYP11B2KMT2AMEN1MAPT
SCHEMBL11790413 0.68 KMT2A (0.57) CYP11B1CYP11B2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212636-B1 NEW PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2023-11-29 EP disclosed
US-9790217-B2 Pyridinyloxy- and phenyloxy-pyrazolyl compounds HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
US-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-08-10 US 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-20170226097-A1 PYRIDINYLOXY- AND PHENYLOXY-PYRAZOLYL COMPOUNDS PDXK, PNPO, PAH CYP11B1 84/4885CYP11B2 32/4885KMT2A 3712/4885

“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.