SCHEMBL2295288

SCHEMBL2295288

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3nccc4ccccc34)ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 10/20 0.44
NPC1 O15118 9/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR1I2 O75469 1/20 0.42
FLT3 P36888 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ACKR3 P25106 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL2297991 0.93 TP53 (0.45) TP53KMT2AMEN1MAPTTSHR
SCHEMBL2298509 0.87 NR1H4 (0.47) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2294561 0.86 RAB9A (0.44) TP53KMT2AMEN1RAB9ANPC1
SCHEMBL5302336 0.85 SMN1; SMN2 (0.42) TP53KMT2AMEN1MAPTTSHR
SCHEMBL2295674 0.83 NPC1 (0.56) TP53KMT2AMEN1MAPTRAB9A
SCHEMBL2292549 0.83 GRM4 (0.48) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2292746 0.82 RAB9A (0.50) TP53KMT2AMAPTTSHRRAB9A
SCHEMBL2295161 0.81 CBLB (0.47) TP53KMT2AMEN1MAPTRAB9A
SCHEMBL2297493 0.81 RAB9A (0.49) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL2295024 0.80 RAB9A (0.52) TP53KMT2AMEN1MAPTTSHR

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 TP53 665/4885KMT2A 3680/4885MEN1 2656/4885

“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.