SCHEMBL2295709

SCHEMBL2295709

COC(=O)CC(c1ccc(-c2ccccc2)cc1)n1cnc2cc(N)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.40
FGFR1 P11362 2/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
F10 P00742 2/20 0.37
HCAR3 P49019 1/20 0.37
LCK P06239 1/20 0.37
F2 P00734 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR3 P29371 1/20 0.36
PHGDH O43175 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDR P35968 1/20 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
SCHEMBL2295162 0.94 FGFR1 (0.42) TNFFGFR1MAPTRAB9AHTT
SCHEMBL2292280 0.88 POLB (0.45) FGFR1MAPTF10HCAR3LCK
SCHEMBL2294183 0.88 MAPT (0.50) TNFFGFR1MAPTRAB9AHTT
SCHEMBL2294405 0.87 TNF (0.42) TNFFGFR1MAPTRAB9AHTT
SCHEMBL2299020 0.84 ALDH1A1 (0.45) TNFFGFR1MAPTRAB9AHTT
SCHEMBL2292935 0.83 ALDH1A1 (0.52) TNFFGFR1MAPTHTTALDH1A1
SCHEMBL2292144 0.83 KCNA5 (0.41) TNFALDH1A1KDM4ELCKPDE4D
SCHEMBL2296036 0.82 NR1I2 (0.53) MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL2295849 0.81 FGFR1 (0.47) FGFR1MAPTRAB9AHCAR3LCK
SCHEMBL5303602 0.81 FGFR1 (0.47) FGFR1MAPTRAB9AHCAR3LCK

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
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US 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 TNF 3887/4885FGFR1 827/4885MAPT 4745/4885

“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.