SCHEMBL16632707

SCHEMBL16632707

FC(F)(F)Oc1ccc(Cc2c(Cl)nc3ccc(Br)cc3c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RORC P51449 11/20 0.44
NT5E P21589 1/20 0.41
DHODH Q02127 1/20 0.37
CSNK1D P48730 1/20 0.37
KCNN3 Q9UGI6 1/20 0.36

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
SCHEMBL16632860 0.87 RORC (0.50) RORC
SCHEMBL15647927 0.84 RORC (0.47) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL15648443 0.84 RORC (0.53) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL15648218 0.83 RORC (0.51) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL15648275 0.82 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL12749514 0.81 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16461194 0.79 NT5E (0.50) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL15647907 0.77 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16632857 0.77 CYP2C19 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16651673 0.76 CYP1A2 (0.54) 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 6 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
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-20150105366-A1 METHYLENE LINKED 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-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 (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-20150105366-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB CYP1A2 841/4885CYP2D6 321/4885CYP2C9 1003/4885

“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.