SCHEMBL2296401

SCHEMBL2296401

N=C(N)Nc1cccc(C(=O)Nc2ccc3ncn(C(CC(=O)O)c4ccccc4)c3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
KHK P50053 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
ITGAV P06756 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
F10 P00742 6/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
F9 P00740 4/20 0.38
POLB P06746 1/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
ITGA2 P17301 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PABPC1 P11940 1/20 0.36

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
SCHEMBL2296240 0.93 NPC1 (0.46) ITGB3ITGA2BKHKNPC1RAB9A
SCHEMBL2300721 0.93 F10 (0.44) ITGB3ITGA2BNPC1RAB9AITGAV
SCHEMBL12420946 0.91 KHK (0.44) ITGB3ITGA2BKHKNPC1RAB9A
SCHEMBL12420304 0.90 KHK (0.39) ITGB3ITGA2BKHKNPC1RAB9A
SCHEMBL2297316 0.89 NPC1 (0.43) KHKNPC1RAB9AKMT2AMEN1
SCHEMBL2294478 0.89 NPC1 (0.48) NPC1RAB9AKMT2AMEN1KCNK3
SCHEMBL2294506 0.88 CBLB (0.42) ITGB3ITGA2BNPC1RAB9AITGAV
SCHEMBL2296333 0.87 NPC1 (0.41) ITGB3ITGA2BNPC1RAB9AITGAV
SCHEMBL2296523 0.86 NPC1 (0.54) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL2298655 0.86 RAB9A (0.48) NPC1RAB9ATP53MAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 ITGB3 10/4885ITGA2B 11/4885KHK 3991/4885

“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.