SCHEMBL545868

SCHEMBL545868

COc1ccc(C(=O)O)c2c(N)noc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 8/20 0.47
KDR P35968 8/20 0.47
FLT3 P36888 8/20 0.47
LCK P06239 5/20 0.47
LYN P07948 5/20 0.47
FLT4 P35916 5/20 0.47
BLK P51451 5/20 0.47
FYN P06241 4/20 0.47
AURKA O14965 4/20 0.47
ROCK2 O75116 4/20 0.47
RPS6KA5 O75582 4/20 0.47
NTRK1 P04629 4/20 0.47
RET P07949 4/20 0.47
FGFR1 P11362 4/20 0.47
FER P16591 4/20 0.47
RPS6KB1 P23443 4/20 0.47
FRK P42685 4/20 0.47
RPS6KA3 P51812 4/20 0.47
MAP4K2 Q12851 4/20 0.47
ROCK1 Q13464 4/20 0.47

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
SCHEMBL546804 0.80 RARA (0.41) KDRFLT3AURKBKITCYP1A2
SCHEMBL422246 0.75 FLT3 (0.43) FLT1KDRFLT3LCKLYN
SCHEMBL545388 0.72 KIT (0.52) KDRFLT3ALDH1A1KITMAPT
SCHEMBL9100503 0.71 CYP1A2 (0.61) LCKFYNALDH1A1TDP1MAPT
SCHEMBL4587611 0.71 ALDH1A1 (0.53) LCKFYNALDH1A1TDP1MAPT
SCHEMBL418915 0.71 KDR (0.58) FLT1KDRFLT3LCKLYN
SCHEMBL74507 0.70 ALDH1A1 (0.47) ALDH1A1TDP1MAPTCA12CA1
SCHEMBL3253868 0.69 ALDH1A1 (0.49) ALDH1A1TDP1MAPTCA12CA1
SCHEMBL5548004 0.69 ALDH1A1 (0.55) ALDH1A1PIM1TDP1MAPTCA12
SCHEMBL1203086 0.69 ALDH1A1 (0.59) LCKFYNALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170834-B1 INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AS INHIBITORS OF PROTEIN KINASES ABBVIE INC (US) 2014-01-08 EP disclosed
US-8110572-B2 Inhibitors of protein kinases ABBOTT LABORATORIES (US) 2012-02-07 US disclosed
US-20090054430-A1 Inhibitors of Protein Kinases ABBOTT LABORATORIES (US) 2009-02-26 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 (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-20090054430-A1 Inhibitors of Protein Kinases AURKC, AURKB, PLK1 FLT1 2548/4885KDR 2634/4885FLT3 715/4885

“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.