SCHEMBL3732498

SCHEMBL3732498

O=C(Nc1cccc(-c2c(N3CCOCC3)c(=O)c2=O)c1)c1sccc1NCc1ccnc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.51
LCK P06239 3/20 0.51
RET P07949 3/20 0.51
MAP3K20 Q9NYL2 3/20 0.51
RAF1 P04049 1/20 0.51
CYP3A4 P08684 1/20 0.51
KIT P10721 1/20 0.51
RIPK3 Q9Y572 1/20 0.51
FLT1 P17948 3/20 0.45
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
CASR P41180 1/20 0.38
EGFR P00533 5/20 0.38
ERBB2 P04626 5/20 0.38
IGF1R P08069 5/20 0.38
HIF1A Q16665 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL3738330 0.88 KDR (0.51) KDRLCKRETMAP3K20RAF1
SCHEMBL3731998 0.88 RAF1 (0.51) KDRLCKRETMAP3K20RAF1
SCHEMBL3735767 0.84 KDR (0.57) KDRLCKRETMAP3K20RAF1
SCHEMBL3729887 0.84 KDR (0.56) KDRLCKRETMAP3K20RAF1
SCHEMBL3737252 0.84 KDR (0.57) KDRLCKRETMAP3K20RAF1
SCHEMBL13043425 0.83 KDR (0.57) KDRLCKRETMAP3K20RAF1
SCHEMBL3735779 0.83 KDR (0.51) KDRLCKRETMAP3K20RAF1
SCHEMBL13043379 0.83 KDR (0.51) KDRLCKRETMAP3K20RAF1
SCHEMBL3735563 0.83 KDR (0.56) KDRLCKRETMAP3K20RAF1
SCHEMBL13043314 0.81 KDR (0.53) KDRLCKRETMAP3K20RAF1

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 1120/4885LCK 549/4885RET 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.