SCHEMBL3117367

SCHEMBL3117367

Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 1.00
FLT1 P17948 11/20 0.78
KDR P35968 5/20 0.78
FLT4 P35916 4/20 0.78
PLK4 O00444 3/20 0.78
ROCK2 O75116 3/20 0.78
MAP4K4 O95819 3/20 0.78
LCK P06239 3/20 0.78
LYN P07948 3/20 0.78
RET P07949 3/20 0.78
FLT3 P36888 3/20 0.78
FRK P42685 3/20 0.78
CSNK1D P48730 3/20 0.78
BLK P51451 3/20 0.78
IRAK1 P51617 3/20 0.78
NEK2 P51955 3/20 0.78
LIMK1 P53667 3/20 0.78
CSNK1G2 P78368 3/20 0.78
MAP4K2 Q12851 3/20 0.78
STK3 Q13188 3/20 0.78

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
SCHEMBL3119077 0.88 FLT1 (1.00) RIPK1FLT1KDRFLT4PLK4
SCHEMBL3531509 0.84 RIPK1 (0.72) RIPK1FLT1KDRFLT4PLK4
SCHEMBL3117554 0.83 FLT1 (1.00) RIPK1FLT1KDRFLT4PLK4
SCHEMBL3122979 0.82 KDR (0.78) RIPK1FLT1KDRFLT4PLK4
SCHEMBL3124066 0.80 AURKB (0.76) RIPK1FLT1KDRFLT4PLK4
SCHEMBL3110624 0.80 FLT1 (1.00) RIPK1FLT1KDRFLT4PLK4
SCHEMBL4477648 0.80 KDR (1.00) RIPK1FLT1KDRFLT4PLK4
SCHEMBL14013999 0.79 FLT1 (0.77) RIPK1FLT1KDRFLT4PLK4
SCHEMBL3128213 0.78 RIPK1 (0.67) RIPK1FLT1KDRFLT4PLK4
Gw770249X SCHEMBL5652411 0.77 TEK (1.00) RIPK1FLT1KDRFLT4PLK4

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-20030225098-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US claimed
US-20030199525-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-23 US claimed
US-7829570-B2 Substituted 4-amino isoxazolo[5,4-d]pyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2010-11-09 US disclosed
US-20100041676-A1 Kinase inhibitors ABBVIE INC. 2010-02-18 US disclosed
US-20030225098-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
US-20030199525-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-23 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-20030199525-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 RIPK1 653/4885FLT1 448/4885KDR 505/4885
US-20030225098-A1 Kinase inhibitors MAP3K19, MAP3K9, MAP3K1 RIPK1 642/4885FLT1 382/4885KDR 410/4885
US-20100041676-A1 Kinase inhibitors MAP3K19, MAP3K20, MAP3K6 RIPK1 520/4885FLT1 582/4885KDR 442/4885

“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.