Valine

Valine

SCHEMBL4522355

CC(C)[C@H](N)C(=O)O.Nc1nc(O)c2ccc(Br)cc2n1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
PPARA Q07869 2/20 0.38
SLC7A5 Q01650 1/20 0.38
HSP90AA1 P07900 1/20 0.36
PABPC1 P11940 1/20 0.36
PDGFRA P16234 1/20 0.36
CDK5 Q00535 1/20 0.36
TYRO3 Q06418 1/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MPO P05164 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
TARS1 P26639 1/20 0.35
DHODH Q02127 2/20 0.34
ADORA2A P29274 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL5498929 0.82 HRH4 (0.50) HRH4PABPC1PDGFRACDK5TYRO3
SCHEMBL3335047 0.73 ADORA2A (0.51) PABPC1HTTALDH1A1MPOADORA3
SCHEMBL30201967 0.73 ADORA2A (0.51) PABPC1HTTALDH1A1MPOADORA3
Valine SCHEMBL11010460 0.69 SLC7A5 (0.46) PPARASLC7A5HTTALDH1A1KDM4E
SCHEMBL13975885 0.67 HRH4 (0.51) HRH4ALDH1A1ADORA2AKDM4EGAA
SCHEMBL7427955 0.67 MPO (0.46) HRH4HTTALDH1A1MPORXFP1
SCHEMBL22234107 0.67 HRH4 (0.50) HRH4HSP90AA1PABPC1HTTMPO
SCHEMBL12575808 0.67 MPO (0.58) HRH4HSP90AA1PABPC1HTTALDH1A1
SCHEMBL21995777 0.66 NPC1 (0.43) HSP90AA1HTTALDH1A1KDM4EGAA
SCHEMBL1743306 0.66 HRH4 (0.56) HRH4PABPC1HTTALDH1A1MPO

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 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 (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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885PPARA 1966/4885SLC7A5 1998/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 HRH4 3834/4885PPARA 1966/4885SLC7A5 1998/4885

“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.