SCHEMBL16461502

SCHEMBL16461502

Clc1nc2ccc(Br)cc2c(Cl)c1Cc1cc2ccccc2s1

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
RORC P51449 4/20 0.42
CYP2A6 P11509 3/20 0.42
ADRB2 P07550 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
ADRA1D P25100 2/20 0.39
ASIC3 Q9UHC3 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
AGXT P21549 1/20 0.36
AKR1B1 P15121 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 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
SCHEMBL15648882 0.85 RORC (0.57) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL12749514 0.79 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16461708 0.79 RORC (0.53) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL28158505 0.79 CTRC (0.39) RORCCYP2A6ADRB2ADRA1DASIC3
SCHEMBL16651261 0.73 RXFP1 (0.59) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL15648275 0.73 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16633254 0.73 RORC (0.51) RORCHRH4PRSS12
SCHEMBL15648494 0.73 RORC (0.56) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16651597 0.72 RXFP1 (0.57) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL158148 0.71 SLC5A2 (0.53) CYP2A6ADRB2ADRA1DASIC3LOXL2

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 18 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
CN-105829294-B The quinolyl conditioning agent of ROR- γ-T being connect with methylene 詹森药业有限公司 2018-11-09 CN disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 EP disclosed
EP-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP disclosed
CN-105829294-A METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T 詹森药业有限公司 2016-08-03 CN disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 US 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
CN-105209453-A Methylene linked quinolinyl modulators of ROR-gamma-T JANSSEN PHARMACEUTICA NV 2015-12-30 CN disclosed
WO-2015057205-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO 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
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 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 CYP1A2 841/4885CYP2D6 321/4885CYP2C9 1003/4885
US-20140107094-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.