SCHEMBL6896283

SCHEMBL6896283

C#Cc1cnc2nc(NC(=O)C(C)(C)C)[nH]c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
GDA Q9Y2T3 1/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRA3 P34903 1/20 0.35
GABRA4 P48169 1/20 0.35
XDH P47989 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
FGFR1 P11362 2/20 0.31

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
SCHEMBL4062168 0.81 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1HPGDKDM4EGAA
SCHEMBL4062163 0.76 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDXDHTP53
SCHEMBL7495317 0.76 ADORA1 (0.39) SMN1; SMN2ALDH1A1HPGDGAAGABRA1
SCHEMBL14511042 0.73 XDH (0.56) SMN1; SMN2ALDH1A1HPGDXDHPOLB
SCHEMBL9451696 0.73 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDKDM4EGAA
SCHEMBL4063853 0.73 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGD
SCHEMBL9838320 0.69 KDM4E (0.58) SMN1; SMN2ALDH1A1HPGDKDM4EGAA
SCHEMBL311846 0.68 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EGDA
SCHEMBL12820930 0.68 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1HPGDKDM4EGAA
SCHEMBL15290198 0.68 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EMEN1

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-20090062316-A1 DEUTERIUM-ENRICHED PELITREXOL PROTIA, LLC (US) 2009-03-05 US disclosed
US-20090062316-A1 DEUTERIUM-ENRICHED PELITREXOL PROTIA, LLC (US) 2009-03-05 US disclosed
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 WO disclosed
EP-0773943-B1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMA (US) 2001-09-26 EP disclosed
US-5646141-A THIENYLALKYLATED DERIVATIVES OF PYRIDO(2,3-D)-PYRIMIDINE, PYRIMIDO(5,4-6)-(1,4)THIAZINE OR PYRIMIDO(5,4-6)-(1,4)SELENAZINE AGOURON PHARMACEUTICALS, INC. (US) 1997-07-08 US disclosed
US-5608082-A GARFT = THE ENZYME GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE AGOURON PHARMACEUTICALS, INC. (US) 1997-03-04 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 (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-20090062316-A1 DEUTERIUM-ENRICHED PELITREXOL CYP24A1, CYP2R1, CYP27B1 SMN1; SMN2 4290/4885ALDH1A1 2243/4885HPGD 112/4885
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP SMN1; SMN2 1993/4885ALDH1A1 975/4885HPGD 2966/4885

“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.