SCHEMBL16651263

SCHEMBL16651263

COC(=O)c1c(Cl)nc2ccc(I)cc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGFR P43088 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CSNK2A1 P68400 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DHODH Q02127 1/20 0.37
CDK9 P50750 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 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
SCHEMBL16650817 0.86 PLA2G2A (0.44) PLA2G2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL13312804 0.85 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2445727 0.82 PLA2G2A (0.46) PLA2G2AKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL28681798 0.81 MAPT (0.51) PLA2G2AKDM4EALDH1A1L3MBTL1PTGFR
SCHEMBL15131951 0.80 NCEH1 (0.42) PLA2G2AKDM4EALDH1A1MEN1KMT2A
SCHEMBL30681986 0.80 KDM4E (0.56) PLA2G2AKDM4EALDH1A1MEN1KMT2A
SCHEMBL5381896 0.80 KDM4E (0.56) PLA2G2AKDM4EALDH1A1MEN1KMT2A
SCHEMBL16652101 0.78 DHODH (0.40) KDM4EALDH1A1L3MBTL1PTGFRPOLB
SCHEMBL13919628 0.76 NQO2 (0.45) PLA2G2AKDM4EL3MBTL1CDK9DYRK1A
SCHEMBL13425793 0.76 KDM4E (0.46) PLA2G2AKDM4EALDH1A1L3MBTL1MEN1

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 14 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
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 PLA2G2A 3604/4885KDM4E 2003/4885ALDH1A1 1295/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA PLA2G2A 3101/4885KDM4E 1561/4885ALDH1A1 1190/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB PLA2G2A 3604/4885KDM4E 2003/4885ALDH1A1 1295/4885

“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.