SCHEMBL16632762

SCHEMBL16632762

O=c1[nH]c2ccc(Br)cc2c(O)c1Cc1cncnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
PADI4 Q9UM07 1/20 0.43
KDM5A P29375 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
GSK3B P49841 2/20 0.40
CHUK O15111 1/20 0.39
PDE5A O76074 1/20 0.38
PDE9A O76083 1/20 0.38
PRNP P04156 1/20 0.38
PPARG P37231 1/20 0.38
HIF1A Q16665 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
SCHEMBL15648890 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16632892 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7117408 0.75 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31146027 0.75 PIM1 (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL14969206 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL16652131 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31146008 0.71 KDM4E (0.50) ALDH1A1KDM4EKMT2AMAPTCYP1A2
SCHEMBL14907054 0.68 KDM4E (0.79) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3985035 0.67 GSK3B (0.54) KDM4EMEN1KMT2APADI4CYP1A2
SCHEMBL1197024 0.66 KDM5A (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT

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 9 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
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
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 ALDH1A1 1026/4885KDM4E 1105/4885MEN1 3488/4885

“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.