SCHEMBL16652131

SCHEMBL16652131

O=c1[nH]c2ccc(Br)cc2c(O)c1CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
GSK3B P49841 2/20 0.42
PRNP P04156 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 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
SCHEMBL31146027 0.79 PIM1 (0.48) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL7117408 0.79 ALDH1A1 (0.65) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL14969206 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL16651582 0.77 GSK3B (0.40) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL16632892 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL16656115 0.77 KDM4E (0.46) KMT2AKDM4EMAPTMEN1
SCHEMBL15648890 0.77 ALDH1A1 (0.72) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL31146008 0.75 KDM4E (0.50) ALDH1A1KMT2AKDM4EMAPTGSK3B
SCHEMBL16632762 0.74 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL1197024 0.72 KDM5A (0.54) ALDH1A1KMT2AKDM4EMAPTMEN1

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 13 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-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
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

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 ALDH1A1 1295/4885KMT2A 2279/4885KDM4E 2003/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA ALDH1A1 1190/4885KMT2A 1735/4885KDM4E 1561/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ALDH1A1 1295/4885KMT2A 2279/4885KDM4E 2003/4885

“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.