SCHEMBL2296211

SCHEMBL2296211

CCOC(=O)CC(c1ccccc1)n1cnc2ccc(C(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.40
DHFR P00374 1/20 0.40
ACSS2 Q9NR19 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
MAPT P10636 2/20 0.38
GSR P00390 2/20 0.37
LMNA P02545 1/20 0.37
PLK1 P53350 1/20 0.37
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 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
SCHEMBL2298302 0.86 EEF2K (0.40) TACR1PLK1NPSR1
SCHEMBL2292529 0.85 ALDH1A1 (0.52) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL12380647 0.84 HSD17B10 (0.50) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL12421823 0.83 MEN1 (0.42) DHFRALDH1A1NPSR1
SCHEMBL2292935 0.78 ALDH1A1 (0.52) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL2297233 0.78 HCAR3 (0.55) KDM4EALDH1A1HTTLMNANPSR1
SCHEMBL2292402 0.78 KDM4E (0.46) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL2291209 0.78 KDM4E (0.45) ACSS2KDM4EALDH1A1HTTMAPT
SCHEMBL8263929 0.78 TBXA2R (0.37) ALDH1A1LMNAPLK1NPSR1GAA
SCHEMBL2294472 0.76 NPC1 (0.41) MAPTTHRBL3MBTL1GAA

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 TACR1 2793/4885DHFR 3850/4885ACSS2 4182/4885

“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.