SCHEMBL3738474

SCHEMBL3738474

CCCN1CCN(c2c(-c3cc(NC(=O)c4sccc4NCc4ccnc5ccccc45)ccc3C)c(=O)c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.49
KIT P10721 2/20 0.49
RET P07949 2/20 0.49
RAF1 P04049 1/20 0.49
LCK P06239 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
ACHE P22303 1/20 0.36
NR4A1 P22736 1/20 0.35
ESR2 Q92731 1/20 0.35
MCHR1 Q99705 1/20 0.35
RAD52 P43351 1/20 0.35
MAPK14 Q16539 1/20 0.35
FAAH O00519 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRAF P15056 1/20 0.34
HTR1A P08908 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
SCHEMBL3745596 0.95 KDR (0.51) KDRKITRETRAF1LCK
SCHEMBL3738048 0.93 KDR (0.50) KDRKITRETRAF1LCK
SCHEMBL3740317 0.93 KDR (0.48) KDRKITRETRAF1LCK
SCHEMBL3738976 0.91 KDR (0.50) KDRKITRETRAF1LCK
SCHEMBL3737502 0.91 KDR (0.52) KDRKITRETRAF1LCK
SCHEMBL3738467 0.90 KDR (0.50) KDRKITRETRAF1LCK
SCHEMBL3731998 0.90 RAF1 (0.51) KDRKITRETRAF1LCK
SCHEMBL3746437 0.84 KDR (0.49) KDRKITRETRAF1LCK
SCHEMBL13043435 0.84 KDR (0.57) KDRKITRETRAF1LCK
SCHEMBL3742573 0.83 KDR (0.56) KDRKITRETRAF1LCK

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
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

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 1/4885RET 553/4885

“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.