SCHEMBL16632992

SCHEMBL16632992

Oc1nc2ccc(I)cc2c(O)c1Cc1ccc(-n2ccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
TBXAS1 P24557 2/20 0.40
ADH5 P11766 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
DHODH Q02127 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP51A1 Q16850 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL16632782 0.80 RORC (0.40) MAPT
SCHEMBL16633051 0.80 RORC (0.43)
SCHEMBL16632937 0.80 RORC (0.47) NOTUM
SCHEMBL16632989 0.78 KDM4E (0.37) CYP3A4MEN1KMT2ALMNAMAPT
SCHEMBL16632789 0.76 RORC (0.48)
SCHEMBL15648913 0.75 VKORC1 (0.42)
SCHEMBL16632818 0.75 APP (0.42) CYP3A4TSHRMAPT
SCHEMBL21791731 0.69 LMNA (0.62) ENPP2MKNK1MKNK2TBXAS1ADH5
SCHEMBL17672944 0.68 LMNA (0.64) ENPP2MKNK1MKNK2ADH5CYP3A4
SCHEMBL16652421 0.64 CCNC (0.30)

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 8 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-3057951-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2016-08-24 EP 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
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
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

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 ENPP2 1898/4885MKNK1 2563/4885MKNK2 2588/4885

“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.