SCHEMBL16650548

SCHEMBL16650548

Cc1c(Cl)nc2ccc(Br)cc2c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 2/20 0.50
NT5E P21589 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MPO P05164 1/20 0.46
CASP3 P42574 2/20 0.44
RORC P51449 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
DHODH Q02127 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
GRIN1 Q05586 2/20 0.41

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
SCHEMBL21004737 0.89 RXFP1 (0.51) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24373387 0.85 MPO (0.46) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18449613 0.81 RXFP1 (0.69) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2711732 0.80 MPO (0.45) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18450575 0.80 CYP1A2 (0.50) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651519 0.80 RXFP1 (0.50) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651473 0.80 CYP1A2 (0.50) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16651515 0.80 CYP1A2 (0.54) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20535122 0.79 ALDH1A1 (0.52) RXFP1HTTALDH1A1MEN1KMT2A
SCHEMBL3118975 0.78 RXFP1 (0.51) RXFP1CYP1A2CYP2D6CYP2C9CYP2C19

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 15 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
CN-105848483-A Quinolinyl modulators of roryt 詹森药业有限公司 2016-08-10 CN 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 RXFP1 53/4885CYP1A2 577/4885CYP2D6 417/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA RXFP1 65/4885CYP1A2 404/4885CYP2D6 454/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB RXFP1 53/4885CYP1A2 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.