SCHEMBL16652157

SCHEMBL16652157

C=CCN(CC=C)Cc1c(OC)nc2ccc(C(=O)OC)cc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.39
RORC P51449 7/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL16662151 0.92 ALDH1A1 (0.46) ALDH1A1L3MBTL1GAAHPGDKDM4E
SCHEMBL16651818 0.82 ALDH1A1 (0.52) ALDH1A1L3MBTL1GAAHPGDKDM4E
SCHEMBL16652146 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1GAAHPGDKDM4E
SCHEMBL21004466 0.80 MAPK1 (0.39) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL16651588 0.76 ALDH1A1 (0.55) ALDH1A1L3MBTL1GAAHPGDKDM4E
SCHEMBL16651246 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1GAAHPGDRAB9A
SCHEMBL16662107 0.73 ALDH1A1 (0.49) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL16650541 0.73 RORC (0.74) RORC
SCHEMBL15648101 0.72 RORC (0.61) RORC
SCHEMBL16632933 0.71 RORC (0.50) RORC

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 11 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-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
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
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 ALDH1A1 1295/4885L3MBTL1 1327/4885GAA 3235/4885
US-10201546-B2 Quinolinyl modulators of RORγt RORC, RORB, RORA ALDH1A1 1190/4885L3MBTL1 1213/4885GAA 3572/4885
US-20170182056-A1 QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB ALDH1A1 1295/4885L3MBTL1 1327/4885GAA 3235/4885

“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.