SCHEMBL16460911

SCHEMBL16460911

Cc1nc2ccc(Br)cc2c(O)c1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
RXFP1 Q9HBX9 2/20 0.45
RORC P51449 5/20 0.42
MBOAT4 Q96T53 1/20 0.41
VKORC1 Q9BQB6 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NT5E P21589 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL16460893 0.86 RORC (0.41) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16462100 0.86 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL21574565 0.78 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL16633125 0.77 NT5E (0.42) CYP1A2CYP2D6CYP2C9CYP2C19VKORC1
SCHEMBL15647927 0.76 RORC (0.47) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL15648267 0.74 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL32659737 0.74 RXFP1 (0.57) CYP1A2CYP2D6CYP2C9CYP2C19RXFP1
SCHEMBL15647695 0.74 RORC (0.63) RORC
SCHEMBL15648913 0.73 VKORC1 (0.42) RORCMBOAT4VKORC1EGLN1KDM4E
SCHEMBL15648541 0.72 NT5E (0.43) RORCNT5E

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-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 EP disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 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
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.