SCHEMBL5730709

SCHEMBL5730709

COc1cc(C)c(-c2c(C)n[nH]c2N)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ILK Q13418 3/20 0.38
DYRK1A Q13627 2/20 0.36
GFER P55789 2/20 0.36
RAB9A P51151 2/20 0.36
DRD1 P21728 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 1/20 0.35
PLA2G2A P14555 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35

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
Acetic Acid SCHEMBL7043082 0.91 KMT2A (0.38) GAASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL2402669 0.84 DRD1 (0.47) GAAMAPTALDH1A1ILKGFER
SCHEMBL7038644 0.83 GAA (0.37) GAASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL5785398 0.82 GAA (0.38) GAASMN1; SMN2MAPTALDH1A1HSD17B10
SCHEMBL5729227 0.80 IKBKB (0.36) GAAMAPTILKDYRK1ARAB9A
SCHEMBL5730488 0.76 ALDH1A1 (0.57) GAAMAPTALDH1A1HPGDHSD17B10
SCHEMBL13516427 0.76 MAPT (0.50) GAASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL20722970 0.76 AKT2 (0.42) GAAMAPTALDH1A1HSD17B10ILK
SCHEMBL1868350 0.75 HSP90AA1 (0.48) GAAMAPTALDH1A1HPGDHSD17B10
SCHEMBL12326164 0.74 ALDH1A1 (0.59) GAAALDH1A1HPGDACHEKMT2A

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
EP-1218381-B1 AMINO SUBSTITUTED PYRAZOLO¬1,5-a|-1,5-PYRIMIDINES AND PYRAZOLO¬1,5-a|-1,3,5-TRIAZINES NEUROGEN CORP (US) 2006-12-06 EP disclosed
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NEUROGEN CORPORATION (US) 2003-04-10 US disclosed
US-6476038-B1 Amino substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo[1,5-a]-1,3,5-triazines NEUROGEN CORPORATION 2002-11-05 US disclosed
EP-1218379-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP disclosed
EP-1218381-A2 AMINO SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP disclosed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US disclosed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 WO disclosed
WO-2001023388-A2 AMINO SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 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-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NPY1R, NPY5R, NPY2R GAA 3225/4885SMN1; SMN2 1881/4885MAPT 2820/4885

“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.