SCHEMBL1367341

SCHEMBL1367341

CN(C)CCCNC(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.65
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NAMPT P43490 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL398196 0.91 ALDH1A1 (0.60) HPGDTHRATHRBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL15845932 0.89 ALDH1A1 (0.58) HPGDTHRATHRBALDH1A1SMN1; SMN2
SCHEMBL10020214 0.89 HPGD (0.79) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL2556196 0.84 POLB (0.55) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL2454819 0.83 HPGD (0.53) HPGDALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL2120449 0.83 HPGD (0.70) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL8411545 0.83 HPGD (0.70) HPGDTHRATHRBALDH1A1KDM4E
SCHEMBL387493 0.83 L3MBTL1 (0.59) THRATHRBALDH1A1NPC1RAB9A
SCHEMBL25231901 0.82 TRPV1 (0.57) ALDH1A1POLB
SCHEMBL9511746 0.81 HPGD (0.68) HPGDTHRATHRBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
EP-2365809-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-09-21 EP disclosed
WO-2010056311-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-05-20 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 (2 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-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 HPGD 1908/4885THRA 2471/4885THRB 1099/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 HPGD 1908/4885THRA 2471/4885THRB 1099/4885

“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.