SCHEMBL3735781

SCHEMBL3735781

COCCN(CCOC)c1c(Nc2cccc(NC(=O)c3sccc3NCc3ccnc4ccccc34)c2)c(=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.54
KIT P10721 2/20 0.54
RAF1 P04049 1/20 0.54
LCK P06239 1/20 0.54
RET P07949 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAP3K20 Q9NYL2 1/20 0.54
RIPK3 Q9Y572 1/20 0.54
FLT1 P17948 5/20 0.46
MAPK8 P45983 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK10 P53779 2/20 0.41
DNMT1 P26358 4/20 0.37
DNMT3A Q9Y6K1 3/20 0.37
BRAF P15056 1/20 0.36
DNMT3L Q9UJW3 2/20 0.36
EHMT1 Q9H9B1 1/20 0.36
PDE4B Q07343 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL3738020 0.90 KDR (0.56) KDRKITRAF1LCKRET
SCHEMBL3738079 0.89 KDR (0.56) KDRKITRAF1LCKRET
SCHEMBL3729899 0.88 KDR (0.57) KDRKITRAF1LCKRET
SCHEMBL3732625 0.87 KDR (0.60) KDRKITRAF1LCKRET
SCHEMBL3736812 0.87 KDR (0.57) KDRKITRAF1LCKRET
SCHEMBL3732516 0.86 KDR (0.58) KDRKITRAF1LCKRET
SCHEMBL3748316 0.85 KDR (0.50) KDRKITRAF1LCKRET
SCHEMBL3737661 0.85 KDR (0.54) KDRKITRAF1LCKRET
SCHEMBL5821561 0.85 KDR (0.55) KDRKITRAF1LCKRET
SCHEMBL3741879 0.84 KDR (0.55) 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 7 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
WO-2006034111-A1 (ARYLAMIDOARYL)SQUARAMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-03-30 WO claimed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
US-7829717-B2 (Arylamidoaryl)squaramide compounds OSI PHARMACEUTICALS, INC. (US) 2010-11-09 US disclosed
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.