SCHEMBL2299723

SCHEMBL2299723

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccccn3)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 12/20 0.48
KDR P35968 4/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL2292549 0.92 GRM4 (0.48) GRM4KDRKCNK3KCNK9NPC1
SCHEMBL2298619 0.91 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2294478 0.89 NPC1 (0.48) GRM4KCNK3KCNK9NPC1RAB9A
SCHEMBL5300582 0.88 TP53 (0.45) GRM4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2295384 0.87 KCNK3 (0.46) KCNK3NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2299761 0.86 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL2297630 0.86 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL2297443 0.86 CBLB (0.47) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2292264 0.85 NPC1 (0.44) KDRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2299394 0.85 F2 (0.44) NPC1RAB9ASMN1; SMN2MAPT

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 2 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 claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed

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 GRM4 2364/4885KDR 455/4885KCNK3 1691/4885

“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.