SCHEMBL3738976

SCHEMBL3738976

Cc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1-c1c(N2CCCN(C)CC2)c(=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.50
RET P07949 3/20 0.50
KIT P10721 2/20 0.50
RAF1 P04049 1/20 0.50
LCK P06239 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAP3K20 Q9NYL2 1/20 0.50
RIPK3 Q9Y572 1/20 0.50
FLT1 P17948 4/20 0.40
MAPK14 Q16539 7/20 0.38
BRAF P15056 2/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
DUSP3 P51452 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
SCHEMBL3737502 0.94 KDR (0.52) KDRRETKITRAF1LCK
SCHEMBL3738474 0.91 KDR (0.49) KDRRETKITRAF1LCK
SCHEMBL3745596 0.91 KDR (0.51) KDRRETKITRAF1LCK
SCHEMBL3738467 0.91 KDR (0.50) KDRRETKITRAF1LCK
SCHEMBL3731998 0.90 RAF1 (0.51) KDRRETKITRAF1LCK
SCHEMBL3738048 0.90 KDR (0.50) KDRRETKITRAF1LCK
SCHEMBL3740317 0.90 KDR (0.48) KDRRETKITRAF1LCK
SCHEMBL13043435 0.84 KDR (0.57) KDRRETKITRAF1LCK
SCHEMBL3746437 0.83 KDR (0.49) KDRRETKITRAF1LCK
SCHEMBL13043433 0.83 KDR (0.57) KDRRETKITRAF1LCK

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 1120/4885RET 553/4885KIT 1/4885

“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.