SCHEMBL2294405

SCHEMBL2294405

COC(=O)CC(c1ccc2ccccc2c1)n1cnc2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 5/20 0.42
MAPT P10636 4/20 0.38
RAB9A P51151 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LCK P06239 1/20 0.37
FGFR1 P11362 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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 0.89 FGFR1 (0.42) TNFMAPTRAB9APDE4APDE4B
SCHEMBL2294961 0.88 FGFR1 (0.41) TNFMAPTPDE4APDE4BPDE4C
SCHEMBL2295709 0.87 TNF (0.40) TNFMAPTRAB9APDE4APDE4B
SCHEMBL2294183 0.87 MAPT (0.50) TNFMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL2296325 0.85 TNF (0.44) TNFMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL2294254 0.83 CYP2C9 (0.38) TNFMAPTALDH1A1SMN1; SMN2FGFR1
SCHEMBL2292144 0.82 KCNA5 (0.41) TNFPDE4DALDH1A1LCKKDM4E
SCHEMBL2292935 0.78 ALDH1A1 (0.52) TNFMAPTALDH1A1LCKFGFR1
SCHEMBL2295784 0.78 HCAR3 (0.44) TNFMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL2299858 0.77 SMN1; SMN2 (0.51) TNFMAPTALDH1A1SMN1; SMN2FGFR1

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 2 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-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US 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 3887/4885MAPT 4745/4885RAB9A 1893/4885

“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.