SCHEMBL2967779

SCHEMBL2967779

CN(C)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.50
CA2 P00918 9/20 0.50
CA9 Q16790 9/20 0.50
MAPT P10636 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LPL P06858 6/20 0.42
LIPG Q9Y5X9 6/20 0.42
CXCR2 P25025 1/20 0.42
HPGD P15428 1/20 0.40

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
SCHEMBL22084735 0.86 TERT (0.49) CA1CA2CA9CA12CA3
SCHEMBL31568592 0.84 CA1 (0.46) CA1CA2CA9CA12CA3
SCHEMBL20911812 0.84 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL15985342 0.84 CA1 (0.53) CA1CA2CA9MAPTCA12
SCHEMBL10087199 0.82 CA1 (0.52) CA1CA2CA9CA12CA3
SCHEMBL5618327 0.82 CA1 (0.52) CA1CA2CA9MAPTCA12
SCHEMBL4113034 0.81 AAK1 (0.44) CA1CA2CA9CA12CA3
SCHEMBL25388983 0.81 TP53 (0.57) CA1CA2CA9MAPTCA12
SCHEMBL5622036 0.81 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL24568718 0.80 GSK3A (0.41) MAPTTAAR1ALDH1A1L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
EP-1768986-A2 FURANOPYRIMIDINES Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060040961-A1 Furanopyrimidines AMGEN INC. 2006-02-23 US disclosed
WO-2006004658-A2 FURANOPYRIMIDINES AMGEN INC. (US) 2006-01-12 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-20060040961-A1 Furanopyrimidines TYMS, IDO1, NFATC1 CA1 1074/4885CA2 3310/4885CA9 3594/4885

“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.