SCHEMBL16632854

SCHEMBL16632854

CCC(=O)/C(=C/c1ccc(-n2cccn2)cc1)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.40
NOTUM Q6P988 1/20 0.39

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
SCHEMBL16632856 1.00 KDM4E (0.49) KDM4EALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL21574682 0.78 KDM4E (0.51) KDM4EALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL9380422 0.77 MEN1 (0.60) MAPK1MAPTMEN1KMT2A
SCHEMBL9380427 0.77 MEN1 (0.60) MAPK1MAPTMEN1KMT2A
SCHEMBL28224152 0.77 MEN1 (0.60) MAPK1MAPTMEN1KMT2A
SCHEMBL6505926 0.76 KDM4E (0.51) KDM4EALDH1A1MAPK1MAPTMEN1
SCHEMBL62700 0.70 MAPT (0.72) KDM4EALDH1A1MAPK1MAPTHTT
SCHEMBL20646989 0.70 KDM4E (0.50) KDM4EALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL11453311 0.69 TDP1 (0.41) KDM4EMAPTHTTMEN1KMT2A
SCHEMBL19249204 0.68 MAPT (0.47) KDM4EALDH1A1MAPK1MAPTMEN1

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 KDM4E 1105/4885ALDH1A1 1026/4885MAPK1 3548/4885

“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.