SCHEMBL2294183

SCHEMBL2294183

COC(=O)CC(c1ccc(OC)cc1)n1cnc2cc(N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TNF P01375 3/20 0.43
FGFR1 P11362 1/20 0.42
HPGD P15428 1/20 0.40
HTT P42858 3/20 0.40
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HCAR3 P49019 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL2299858 0.90 SMN1; SMN2 (0.51) MAPTALDH1A1SMN1; SMN2TNFFGFR1
SCHEMBL2295162 0.89 FGFR1 (0.42) MAPTALDH1A1SMN1; SMN2TNFFGFR1
SCHEMBL2295709 0.88 TNF (0.40) MAPTALDH1A1SMN1; SMN2TNFFGFR1
SCHEMBL2294405 0.87 TNF (0.42) MAPTALDH1A1SMN1; SMN2TNFFGFR1
SCHEMBL12420307 0.84 MAPT (0.56) MAPTALDH1A1SMN1; SMN2FGFR1HPGD
SCHEMBL2292144 0.82 KCNA5 (0.41) ALDH1A1TNFKDM4EHSD17B10TP53
SCHEMBL2295784 0.81 HCAR3 (0.44) MAPTALDH1A1SMN1; SMN2TNFFGFR1
SCHEMBL2292935 0.79 ALDH1A1 (0.52) MAPTALDH1A1TNFFGFR1HPGD
SCHEMBL2294254 0.78 CYP2C9 (0.38) MAPTALDH1A1SMN1; SMN2TNFFGFR1
SCHEMBL2295849 0.76 FGFR1 (0.47) MAPTSMN1; SMN2FGFR1HPGDRAB9A

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 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

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 MAPT 4745/4885ALDH1A1 1381/4885SMN1; SMN2 2159/4885

“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.