SCHEMBL3740432

SCHEMBL3740432

CN(C)CCNc1c(N2CCc3ccc(NC(=O)c4sccc4NCc4ccnc5ccccc45)cc32)c(=O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.49
KIT P10721 2/20 0.49
RAF1 P04049 1/20 0.49
LCK P06239 1/20 0.49
RET P07949 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAP3K20 Q9NYL2 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
FLT1 P17948 4/20 0.39
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TERT O14746 3/20 0.34
BRAF P15056 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
EIF4E P06730 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL13043422 0.95 KDR (0.49) KDRKITRAF1LCKRET
SCHEMBL3736580 0.92 KDR (0.51) KDRKITRAF1LCKRET
SCHEMBL3738455 0.92 KDR (0.51) KDRKITRAF1LCKRET
SCHEMBL3735420 0.91 KDR (0.52) KDRKITRAF1LCKRET
SCHEMBL3732848 0.90 KDR (0.48) KDRKITRAF1LCKRET
SCHEMBL3732001 0.89 KDR (0.47) KDRKITRAF1LCKRET
SCHEMBL3735477 0.89 KDR (0.52) KDRKITRAF1LCKRET
SCHEMBL3737803 0.88 KDR (0.47) KDRKITRAF1LCKRET
SCHEMBL3741822 0.88 KDR (0.54) KDRKITRAF1LCKRET
SCHEMBL3740356 0.87 KDR (0.52) KDRKITRAF1LCKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111349-A1 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. 2006-05-25 US claimed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-20060111349-A1 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. 2006-05-25 US disclosed
WO-2006034111-A1 (ARYLAMIDOARYL)SQUARAMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO 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-20060111349-A1 (Arylamidoaryl)squaramide compounds KIT, TSSK6, MCTS1 KDR 1120/4885KIT 1/4885RAF1 833/4885

“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.