SCHEMBL16651973

SCHEMBL16651973

COc1nc2ccc(Br)cc2c(Cl)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
PRNP P04156 1/20 0.41
HTT P42858 2/20 0.40
NT5E P21589 1/20 0.38
PTGES O14684 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
ERN1 O75460 1/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
CASP3 P42574 2/20 0.36
MEN1 O00255 1/20 0.36
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MPO P05164 1/20 0.35
DHODH Q02127 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
SCHEMBL16651290 0.81 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16651515 0.81 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL18450715 0.78 CYP1A2 (0.48) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16651526 0.78 ALDH1A1 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL28162218 0.76 ALDH1A1 (0.41) CYP1A2CYP2C19RXFP1L3MBTL1PRNP
SCHEMBL16651474 0.76 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16651618 0.76 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16651113 0.75 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL12749518 0.75 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16651471 0.74 RORC (0.56) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1

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
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

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 CYP1A2 577/4885CYP2D6 417/4885CYP2C9 846/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA CYP1A2 404/4885CYP2D6 454/4885CYP2C9 426/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CYP1A2 577/4885CYP2D6 417/4885CYP2C9 846/4885

“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.