SCHEMBL2296957

SCHEMBL2296957

CC(CC(=O)O)n1cnc2cc(N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.50
MAPT P10636 4/20 0.44
HSD17B10 Q99714 3/20 0.44
FGFR1 P11362 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
IKZF3 Q9UKT9 1/20 0.38
LCK P06239 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
KMO O15229 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GFER P55789 1/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL2293420 0.89 HCAR3 (0.41) HCAR3MAPTHSD17B10FGFR1SMN1; SMN2
SCHEMBL2295784 0.86 HCAR3 (0.44) HCAR3MAPTHSD17B10FGFR1SMN1; SMN2
SCHEMBL5303602 0.83 FGFR1 (0.47) HCAR3MAPTHSD17B10FGFR1SMN1; SMN2
SCHEMBL2295849 0.83 FGFR1 (0.47) HCAR3MAPTHSD17B10FGFR1SMN1; SMN2
SCHEMBL19911407 0.81 MAPT (0.50) HCAR3MAPTHSD17B10FGFR1SMN1; SMN2
SCHEMBL8853491 0.80 HPGD (0.56) HCAR3MAPTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL2299858 0.80 SMN1; SMN2 (0.51) HCAR3MAPTFGFR1SMN1; SMN2ALDH1A1
SCHEMBL12420914 0.80 MAPT (0.46) HCAR3MAPTHSD17B10FGFR1SMN1; SMN2
SCHEMBL5280344 0.80 HCAR3 (0.48) HCAR3MAPTHSD17B10FGFR1SMN1; SMN2
SCHEMBL2292280 0.79 POLB (0.45) HCAR3MAPTHSD17B10FGFR1SMN1; 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 6 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
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP 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
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 HCAR3 1471/4885MAPT 4745/4885HSD17B10 4512/4885

“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.