SCHEMBL4451072

SCHEMBL4451072

O=C(Nc1cccc(-c2nccs2)c1)N[C@H]1[C@@H]2CN(c3ccc(F)cc3F)C[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.41
MAPT P10636 2/20 0.38
FGFR3 P22607 2/20 0.38
KDR P35968 2/20 0.38
CCR3 P51677 2/20 0.38
CYP2D6 P10635 1/20 0.38
CNR1 P21554 2/20 0.38
RHOA P61586 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
VCP P55072 1/20 0.36
NTRK1 P04629 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 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
SCHEMBL4451883 1.00 CASR (0.41) CASRMAPTFGFR3KDRCCR3
SCHEMBL13783971 1.00 CASR (0.41) CASRMAPTFGFR3KDRCCR3
SCHEMBL13783977 0.84 CCR3 (0.47) MAPTCCR3CNR1NPC1RAB9A
SCHEMBL4458269 0.84 CCR3 (0.47) MAPTCCR3CNR1NPC1RAB9A
SCHEMBL4458275 0.84 CCR3 (0.47) MAPTCCR3CNR1NPC1RAB9A
SCHEMBL4450002 0.84 HCRTR1 (0.41) MAPTCCR3CYP2D6CNR1NPC1
SCHEMBL4450000 0.84 HCRTR1 (0.41) MAPTCCR3CYP2D6CNR1NPC1
SCHEMBL4456054 0.81 MEN1 (0.48) MAPTCNR1RHOANPC1RAB9A
SCHEMBL4456059 0.81 MEN1 (0.48) MAPTCNR1RHOANPC1RAB9A
SCHEMBL13783917 0.79 CNR1 (0.41) FGFR3KDRCCR3CYP2D6CNR1

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
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO claimed
EP-1658081-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA IP NV (BE) 2007-10-24 EP claimed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 US disclosed
EP-1658081-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA IP NV (BE) 2007-10-24 EP disclosed
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 US disclosed
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-12-21 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 (2 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-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 CASR 3138/4885MAPT 1684/4885FGFR3 1047/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 CASR 4208/4885MAPT 2410/4885FGFR3 4145/4885

“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.