SCHEMBL3737542

SCHEMBL3737542

O=C(Nc1cccc(-c2c(NCCN3CCCCC3)c(=O)c2=O)c1)c1sccc1NCc1ccnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 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
KIT P10721 1/20 0.49
MAP3K20 Q9NYL2 1/20 0.49
RIPK3 Q9Y572 1/20 0.49
FLT1 P17948 2/20 0.44
HRH3 Q9Y5N1 5/20 0.42
TERT O14746 1/20 0.38
ACP1 P24666 3/20 0.37
SMARCA2 P51531 1/20 0.37
FAAH O00519 1/20 0.36
BRAF P15056 1/20 0.36
JAK3 P52333 1/20 0.35
MAP4K4 O95819 1/20 0.34
ATR Q13535 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 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
SCHEMBL3735052 0.91 KDR (0.51) KDRRAF1LCKRETCYP3A4
SCHEMBL3746437 0.89 KDR (0.49) KDRRAF1LCKRETCYP3A4
SCHEMBL3735531 0.86 KDR (0.54) KDRRAF1LCKRETCYP3A4
SCHEMBL3735563 0.85 KDR (0.56) KDRRAF1LCKRETCYP3A4
SCHEMBL3745521 0.84 KDR (0.50) KDRRAF1LCKRETCYP3A4
SCHEMBL3732848 0.83 KDR (0.48) KDRRAF1LCKRETCYP3A4
SCHEMBL13043418 0.83 KDR (0.48) KDRRAF1LCKRETCYP3A4
SCHEMBL3737517 0.82 KDR (0.51) KDRRAF1LCKRETCYP3A4
SCHEMBL3737252 0.82 KDR (0.57) KDRRAF1LCKRETCYP3A4
SCHEMBL13043314 0.82 KDR (0.53) KDRRAF1LCKRETCYP3A4

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 1120/4885RAF1 833/4885LCK 549/4885

“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.