SCHEMBL16632857

SCHEMBL16632857

CSc1ccc(Cc2c(Cl)nc3ccc(Br)cc3c2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
RORC P51449 12/20 0.39
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
IRAK1 P51617 1/20 0.37
MAPK12 P53778 1/20 0.37
CSNK2A1 P68400 1/20 0.37
PRKAA1 Q13131 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
SCHEMBL15648275 0.85 CYP1A2 (0.52) CYP2C19CYP1A2CYP2D6CYP2C9RXFP1
SCHEMBL12749514 0.84 CYP1A2 (0.54) CYP2C19CYP1A2CYP2D6CYP2C9RXFP1
SCHEMBL15648218 0.83 RORC (0.51) CYP2C19CYP1A2CYP2D6CYP2C9RXFP1
SCHEMBL15648443 0.82 RORC (0.53) CYP2C19CYP1A2CYP2D6CYP2C9RXFP1
SCHEMBL28250236 0.82 MAPT (0.51) CYP2C19CYP1A2CYP2C9RORCMAPT
SCHEMBL15649366 0.81 RORC (0.55) CYP2C19CYP1A2CYP2D6CYP2C9RXFP1
SCHEMBL15647927 0.80 RORC (0.47) CYP2C19CYP1A2CYP2D6CYP2C9RXFP1
SCHEMBL15647907 0.80 CYP1A2 (0.47) CYP2C19CYP1A2CYP2D6CYP2C9RXFP1
SCHEMBL15363404 0.78 SLC6A4 (0.38) CYP2C19CYP1A2CYP2D6CYP2C9RXFP1
SCHEMBL16632923 0.78 VKORC1 (0.42) CYP2C19CYP1A2CYP2D6CYP2C9RXFP1

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 CYP2C19 1510/4885CYP1A2 841/4885CYP2D6 321/4885

“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.