SCHEMBL3738422

SCHEMBL3738422

CC(C)(C)c1ccc2nc(-c3cnc4ccccc4c3N)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.55
FGFR1 P11362 2/20 0.55
FLT3 P36888 2/20 0.55
CLK4 Q9HAZ1 2/20 0.55
SYK P43405 2/20 0.55
KDR P35968 2/20 0.55
PDPK1 O15530 2/20 0.55
CDK1 P06493 2/20 0.55
CDK2 P24941 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
PLK4 O00444 1/20 0.55
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
CHUK O15111 1/20 0.55
JAK2 O60674 1/20 0.55
ROCK2 O75116 1/20 0.55
MAP4K4 O95819 1/20 0.55
PAK4 O96013 1/20 0.55
CHEK2 O96017 1/20 0.55
ABL1 P00519 1/20 0.55

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
SCHEMBL3731117 0.84 RAB9A (0.62) METAP2FGFR1KDRKDM4ENPC1
SCHEMBL3739404 0.81 ADORA3 (0.59) METAP2FGFR1KDRPDPK1CDK1
SCHEMBL3728400 0.80 NPC1 (0.60) PDPK1CDK1CDK2MKNK2CHEK2
SCHEMBL1052466 0.79 NPBWR1 (0.44) KDRPDPK1CDK1CDK2MKNK2
SCHEMBL1048556 0.79 CBFB (0.55) KDRPDPK1CDK1CDK2MKNK2
SCHEMBL3732815 0.78 NPC1 (0.53) KDRPDPK1CDK1CDK2MKNK2
SCHEMBL1053773 0.76 CHEK2 (0.46) KDRCDK1CDK2MKNK2CHEK2
SCHEMBL4174549 0.75 METAP2 (0.77) METAP2FGFR1FLT3CLK4SYK
SCHEMBL1054293 0.75 AMY1A (0.48) METAP2FGFR1KDRPDPK1PDE10A
SCHEMBL1051815 0.75 FGFR1 (0.49) FGFR1KDRCDK1RETFLT1

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 5 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-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 (3 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 METAP2 3461/4885FGFR1 939/4885FLT3 1484/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 METAP2 635/4885FGFR1 2/4885FLT3 74/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 METAP2 2487/4885FGFR1 1273/4885FLT3 23/4885

“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.