SCHEMBL4913380

SCHEMBL4913380

O=C1Nc2ccc(Cl)nc2Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
JUN P05412 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
LMNA P02545 2/20 0.40
CHEK1 O14757 1/20 0.40
GSK3B P49841 2/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39
CDK5 Q00535 1/20 0.39
PRKAA1 Q13131 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
SCHEMBL16061960 0.81 JUN (0.54) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL1366624 0.80 JUN (0.42) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL7336729 0.76 CYP1A2 (0.55) KDM4ELMNACHEK1GSK3BPLK4
SCHEMBL9853425 0.75 KDM4E (0.38) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL9853428 0.74 KDM4E (0.37) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL17059744 0.73 LMNA (0.46) KDM4EJUNNFKB1NFKB2RELA
SCHEMBL1366565 0.73 LMNA (0.58) LMNACHEK1MAPTTP53PDGFRA
SCHEMBL380110 0.72 ALOX5 (0.61) KDM4ELMNAGSK3BMAPTTP53
SCHEMBL10391158 0.71 FER (0.55) CHEK1GSK3BPLK4AURKACHEK2
SCHEMBL172370 0.70 LMNA (0.58) LMNACHEK1MAPTTP53PDGFRA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
WO-2007067875-A2 PYRIDINYL SULFONAMIDE MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMTED (GB) 2007-06-14 WO disclosed
US-5547951-A ENZYME INHIBITORS; AIDS BOEHRINGER INGELHEIM PHARAMCEUTICALS, INC. (US) 1996-08-20 US disclosed
EP-0417534-A1 Pyrido[2,3-b][1,4]benzoxazepin (and thiazepin)-6(5H)-ones and thiones and their use in the prevention or treatment of AIDS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1991-03-20 EP 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-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors CCR2, CCR1, CCRL2 KDM4E 4528/4885JUN 4057/4885NFKB1 1190/4885

“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.