SCHEMBL16632658

SCHEMBL16632658

FC(F)(F)c1ccc(Cc2c(N3CCC3)nc3ccc(Br)cc3c2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.57
CTNNB1 P35222 2/20 0.43
TCF7L2 Q9NQB0 2/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NT5E P21589 1/20 0.40

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
SCHEMBL15647927 0.82 RORC (0.47) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21075937 0.80 RORC (0.41) RORCCTNNB1TCF7L2CYP1A2
SCHEMBL16462100 0.80 CYP1A2 (0.61) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16632413 0.79 RORC (0.55) RORC
SCHEMBL15648267 0.78 CYP1A2 (0.52) RORCCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21075978 0.78 RORC (0.50) RORC
SCHEMBL16479509 0.78 RORC (0.87) RORC
SCHEMBL15647695 0.78 RORC (0.63) RORC
SCHEMBL16632362 0.77 RORC (0.51) RORC
SCHEMBL16632760 0.76 RORC (0.56) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
EP-3560920-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF ROR GAMMA T Janssen Pharmaceutica NV (BE) 2019-10-30 EP disclosed
EP-3057949-B1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF ROR GAMMA T JANSSEN PHARMACEUTICA NV (BE) 2019-06-05 EP disclosed
EP-3057949-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US disclosed
US-9221804-B2 Secondary alcohol quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2015-12-29 US disclosed
US-9221804-B2 Secondary alcohol quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2015-12-29 US disclosed
US-9221804-B2 Secondary alcohol quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2015-12-29 US disclosed
WO-2015057206-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed
US-20150105372-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105372-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105372-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2015-04-16 US disclosed
US-20150105366-A1 METHYLENE 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 (2 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-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885CTNNB1 986/4885TCF7L2 120/4885
US-20150105372-A1 SECONDARY ALCOHOL QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RORC 1/4885CTNNB1 1476/4885TCF7L2 122/4885

“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.