SCHEMBL3739404

SCHEMBL3739404

Cc1cc2nc(-c3cnc4ccccc4c3N)[nH]c2cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.59
KDR P35968 2/20 0.55
PDGFRB P09619 1/20 0.55
FGFR1 P11362 1/20 0.55
METAP1 P53582 2/20 0.51
METAP2 P50579 1/20 0.51
CBFB Q13951 1/20 0.51
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ATM Q13315 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
AMY1A P0DUB6 6/20 0.47
PDE10A Q9Y233 1/20 0.45
FABP6 P51161 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 3/20 0.44

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
SCHEMBL1054293 0.88 AMY1A (0.48) ADORA3KDRPDGFRBFGFR1METAP1
SCHEMBL3731117 0.86 RAB9A (0.62) KDRPDGFRBFGFR1METAP1METAP2
SCHEMBL3732815 0.85 NPC1 (0.53) ADORA3KDRCBFBNPC1RAB9A
SCHEMBL3730737 0.81 PTGES (0.49) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3730819 0.81 ADORA3 (0.60) ADORA3CBFBNPC1RAB9AALDH1A1
SCHEMBL1054128 0.81 HPGD (0.43) ADORA3KDRPDGFRBFGFR1NPC1
SCHEMBL3738422 0.81 METAP2 (0.55) KDRFGFR1METAP2NPC1RAB9A
SCHEMBL3745625 0.80 CBFB (0.51) ADORA3CBFBNPC1RAB9AALDH1A1
SCHEMBL3728400 0.79 NPC1 (0.60) CBFBNPC1RAB9AALDH1A1KDM4E
SCHEMBL3738781 0.79 SMN1; SMN2 (0.52) ADORA3KDRPDGFRBFGFR1METAP1

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-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 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 (4 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 ADORA3 4453/4885KDR 2670/4885PDGFRB 2945/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 ADORA3 2112/4885KDR 198/4885PDGFRB 127/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 ADORA3 3763/4885KDR 4671/4885PDGFRB 3508/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 ADORA3 2721/4885KDR 1508/4885PDGFRB 3143/4885

“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.