SCHEMBL16633300

SCHEMBL16633300

FC(F)(F)c1nc2ccccc2c(Cl)c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
APP P05067 4/20 0.40
PDE5A O76074 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
ENPP1 P22413 1/20 0.39
USP1 O94782 2/20 0.39
WDR48 Q8TAF3 2/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
PLA2G2A P14555 1/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 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
SCHEMBL16632627 0.84 CCNC (0.41) OPRM1OPRD1PLA2G2A
SCHEMBL16632999 0.84 CYP1A2 (0.48) MAPTKDM4EPDE5APLA2G2AKMT2A
SCHEMBL28158626 0.78 APP (0.49) MAOAMAOBAPPUSP1WDR48
SCHEMBL28093128 0.74 RORC (0.47) MAOBMAPTAPPUSP1WDR48
SCHEMBL16632042 0.73 ENPP1 (0.67) MAOAMAOBMAPTKDM4EENPP1
SCHEMBL28949590 0.73 RORC (0.49) MAOAMAOBMAPTKDM4EAPP
SCHEMBL1125436 0.72 APP (0.39) MAOAMAPTKDM4ECCNE2CCNE1
SCHEMBL11105383 0.72 MAOA (0.48) MAOAMAOBMAPTKDM4EENPP1
SCHEMBL28865866 0.71 TLR7 (0.51) MAPTAPPUSP1WDR48BCHE
SCHEMBL3176059 0.71 MAOA (0.43) MAOAMAOBKDM4EAPPPDE5A

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 7 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-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-9284308-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV 2016-03-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MAOA 3532/4885MAOB 3619/4885MAPT 2110/4885

“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.