SCHEMBL16651230

SCHEMBL16651230

COc1nc2ccc(Br)cc2c(Cl)c1CC(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.57
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
DPP4 P27487 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.40
PRNP P04156 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.37
NT5E P21589 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
SCHEMBL16651618 0.85 CYP1A2 (0.56) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651113 0.84 CYP1A2 (0.55) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651040 0.83 RXFP1 (0.57) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651221 0.83 CYP1A2 (0.48) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651243 0.81 RORC (0.55) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12749518 0.81 CYP1A2 (0.51) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651474 0.80 CYP1A2 (0.46) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651515 0.79 CYP1A2 (0.54) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651840 0.78 RORC (0.51) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15648578 0.78 RORC (0.55) RORCCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057422-B1 QUINOLINYL MODULATORS OF ROR(GAMMA)T JANSSEN PHARMACEUTICA NV (BE) 2019-05-15 EP disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-10201546-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2019-02-12 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2017-06-29 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
US-9624225-B2 Quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2017-04-18 US disclosed
EP-3057422-A1 QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica NV (BE) 2016-08-24 EP disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 US disclosed
WO-2015057626-A1 QUINOLINYL MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 US disclosed
US-20150111870-A1 QUINOLINYL MODULATORS OF RORyt JOHNSON & JOHNSON (US) 2015-04-23 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 (3 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-20150111870-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885CYP1A2 577/4885CYP2D6 417/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA RORC 1/4885CYP1A2 404/4885CYP2D6 454/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885CYP1A2 577/4885CYP2D6 417/4885

“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.