SCHEMBL2292746

SCHEMBL2292746

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccncc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.50
NPC1 O15118 10/20 0.50
KCNK3 O14649 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
KHK P50053 1/20 0.43
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41

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
SCHEMBL2295674 0.94 NPC1 (0.56) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2295384 0.92 KCNK3 (0.46) RAB9ANPC1KCNK3SMN1; SMN2LMNA
SCHEMBL2296016 0.90 NPC1 (0.50) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2294143 0.90 NPC1 (0.53) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2295869 0.89 NPC1 (0.50) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2300667 0.89 RAB9A (0.51) RAB9ANPC1KCNK3SMN1; SMN2LMNA
SCHEMBL2296419 0.89 NPC1 (0.49) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2294968 0.89 NPC1 (0.59) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2299737 0.89 NPC1 (0.49) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2296039 0.89 NPC1 (0.52) RAB9ANPC1SMN1; SMN2LMNATP53

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 claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO 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 RAB9A 1893/4885NPC1 2770/4885KCNK3 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.