SCHEMBL2295384

SCHEMBL2295384

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccncc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.46
HTT P42858 1/20 0.44
RAB9A P51151 4/20 0.43
LMNA P02545 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
KHK P50053 1/20 0.43
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 2/20 0.42
PABPC1 P11940 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL2294478 0.94 NPC1 (0.48) KCNK3HTTRAB9ALMNANPC1
SCHEMBL2292746 0.92 RAB9A (0.50) KCNK3HTTRAB9ALMNANPC1
SCHEMBL2299812 0.90 NPC1 (0.45) RAB9ALMNANPC1KMT2APABPC1
SCHEMBL2299394 0.90 F2 (0.44) RAB9ANPC1POLBKMT2APABPC1
SCHEMBL2295492 0.89 RAB9A (0.51) KCNK3HTTRAB9ALMNANPC1
SCHEMBL2296935 0.89 ALDH1A1 (0.46) RAB9ALMNANPC1POLBKMT2A
SCHEMBL2297422 0.89 KMT2A (0.46) RAB9ALMNANPC1POLBMAPK1
SCHEMBL2292564 0.89 NPC1 (0.51) RAB9ALMNANPC1POLBKDM4E
SCHEMBL2297005 0.89 MAPT (0.49) RAB9ANPC1MAPK1KMT2APABPC1
SCHEMBL2296047 0.89 NPC1 (0.42) RAB9ALMNANPC1POLBKMT2A

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 KCNK3 1691/4885HTT 4869/4885RAB9A 1893/4885

“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.