SCHEMBL4281807

SCHEMBL4281807

NC(=O)c1cccc(C(O)c2c[nH]c3nccnc23)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.39
NUDT1 P36639 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RPS6KB1 P23443 8/20 0.33
AURKA O14965 4/20 0.33
CAMKK2 Q96RR4 1/20 0.33
PDPK1 O15530 2/20 0.32
PIM1 P11309 1/20 0.32
BAD Q92934 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
AURKB Q96GD4 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL4281812 0.83 MAPK1 (0.34)
SCHEMBL3709679 0.79 RPS6KB1 (0.37) NUDT1RPS6KB1AURKAPDPK1PIM1
SCHEMBL3712294 0.78 PARP1 (0.42) PARP1NUDT1LMNAL3MBTL1KDM4E
SCHEMBL3505142 0.77 BRAF (0.39) PARP1NUDT1LMNACSNK1A1TYRO3
SCHEMBL12520268 0.75 CYP2C9 (0.42) RPS6KB1AURKAPDPK1AURKB
SCHEMBL7738789 0.72 BRAF (0.43) AURKAAURKB
SCHEMBL4286212 0.70 SLC40A1 (0.52) LMNAMAPTHTT
SCHEMBL14331904 0.70 MAPK1 (0.47) PARP1NUDT1L3MBTL1KDM4ECSNK1A1
SCHEMBL3701115 0.69 CAMKK2 (0.43) PARP1NUDT1KDM4EMAPTHTT
SCHEMBL3703457 0.68 BRAF (0.41) AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009152087-A1 BICYCLIC HETEROARYL COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 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-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, PRKACA, RAF1 PARP1 2284/4885NUDT1 4098/4885LMNA 3878/4885

“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.