SCHEMBL16645242

SCHEMBL16645242

Oc1ccc2ncc(-c3ccccc3)c(Cl)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.48
CYP17A1 P05093 5/20 0.48
CYP3A4 P08684 5/20 0.48
CYP11B1 P15538 5/20 0.48
CYP11B2 P19099 5/20 0.48
ALOX5 P09917 1/20 0.44
ESR2 Q92731 3/20 0.44
ESR1 P03372 2/20 0.44
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
ESRRB O95718 2/20 0.42
ESRRA P11474 2/20 0.42
USP7 Q93009 1/20 0.41
PELI1 Q96FA3 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PIK3CA P42336 1/20 0.39
DYRK1A Q13627 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
SCHEMBL27674777 0.83 CYP17A1 (0.42) RORCCYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL15646152 0.81 SMN1; SMN2 (0.48) RORCKMT2ADYRK1A
SCHEMBL27674700 0.81 ESR2 (0.47) CYP17A1CYP3A4CYP11B1CYP11B2ESR2
SCHEMBL15646666 0.80 MAOA (0.52) RORCCYP3A4ADORA2A
SCHEMBL27693036 0.79 CYP17A1 (0.39) CYP17A1CYP3A4CYP11B1CYP11B2ESR2
SCHEMBL27674776 0.79 ESR2 (0.42) CYP17A1CYP3A4CYP11B1CYP11B2ESR2
SCHEMBL5653842 0.76 PIK3CA (0.62) ALOX5ESR2ESR1KMT2APELI1
SCHEMBL23674185 0.74 ESR2 (0.56) CYP17A1CYP3A4CYP11B1CYP11B2ALOX5
SCHEMBL16585910 0.74 PIK3CA (0.60) ALOX5ESR2ESR1KMT2APELI1
SCHEMBL30120338 0.73 ESR2 (0.42) CYP17A1CYP3A4CYP11B1CYP11B2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 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-20150105404-A1 PHENYL LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885CYP17A1 418/4885CYP3A4 1047/4885

“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.