SCHEMBL5548743

SCHEMBL5548743

O=C(c1ccc2ncccc2c1)c1ccc2nc(Cl)nc(-c3cccc(Cl)c3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.55
PDE4D Q08499 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
TGFBR1 P36897 2/20 0.47
TGFBR2 P37173 1/20 0.47
PLK1 P53350 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
RORB Q92753 2/20 0.44
MGLL Q99685 1/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PDE4B Q07343 1/20 0.40
OPRK1 P41145 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14039064 0.86 CSNK2A2 (0.47) PDE4DPDE4APDE4CCSNK2A2CSNK2B
SCHEMBL5550324 0.83 KDM4E (0.51) DOT1LPDE4DPDE4APDE4CTGFBR1
SCHEMBL3553323 0.83 KDM4E (0.55) PDE4DPDE4APDE4CCSNK2A2CSNK2B
SCHEMBL3553199 0.83 CSNK2A2 (0.45) PDE4DPDE4APDE4CCSNK2A2CSNK2B
SCHEMBL3559214 0.83 CSNK2A2 (0.45) PDE4DPDE4APDE4CCSNK2A2CSNK2B
SCHEMBL3557898 0.80 HPGD (0.46) CSNK2A2CSNK2BRORBHTTALDH1A1
SCHEMBL5545666 0.80 DOT1L (0.54) DOT1LHTTALDH1A1KDM4EKMT2A
SCHEMBL5658645 0.79 NPC1 (0.47) CSNK2A2CSNK2BALDH1A1LMNAKDM4E
SCHEMBL5023267 0.78 CSNK2A2 (0.43) PDE4DPDE4APDE4CCSNK2A2CSNK2B
SCHEMBL27856105 0.75 DOT1L (0.73) DOT1LPLK1HTTALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196094-B2 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-27 US disclosed
US-20030207887-A1 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-06 US disclosed
EP-1322650-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-02 EP disclosed
WO-2002024686-A2 FARNESYL TRANSFERASE INHIBITING 6-HETEROCYCLYLMETHYL QUINOLINE AND QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-28 WO 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-20030207887-A1 Farnesyl transferase inhibiting 6-heterocyclylmethyl quinoline and quinazoline derivatives FNTA, FNTB, RCE1 DOT1L 1987/4885PDE4D 2633/4885PDE4A 1495/4885

“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.