SCHEMBL5823575

SCHEMBL5823575

CCOc1cccc(C(=O)C=CN(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.66
HTT P42858 4/20 0.66
GAA P10253 3/20 0.66
ALDH1A1 P00352 9/20 0.58
HPGD P15428 4/20 0.58
RECQL P46063 2/20 0.55
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 4/20 0.54
POLB P06746 1/20 0.54
HSP90AA1 P07900 1/20 0.54
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL5823572 1.00 MAPT (0.66) MAPTHTTGAAALDH1A1HPGD
SCHEMBL5810961 0.85 MAPT (0.62) MAPTHTTGAAALDH1A1HPGD
SCHEMBL14537314 0.84 MAPT (0.71) MAPTHTTGAAALDH1A1HPGD
SCHEMBL2162778 0.84 MAPT (0.71) MAPTHTTGAAALDH1A1HPGD
SCHEMBL31276346 0.84 MAPT (0.71) MAPTHTTGAAALDH1A1HPGD
SCHEMBL2162785 0.84 MAPT (0.71) MAPTHTTGAAALDH1A1HPGD
SCHEMBL5475341 0.82 MAPT (0.69) MAPTHTTGAAALDH1A1HPGD
SCHEMBL31276086 0.82 MAPT (0.69) MAPTHTTGAAALDH1A1HPGD
SCHEMBL5946453 0.81 MAPT (0.77) MAPTHTTGAAALDH1A1HPGD
SCHEMBL8780311 0.80 ALDH1A1 (0.57) MAPTHTTALDH1A1HPGDRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-5612340-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1997-03-18 US disclosed
EP-0672035-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1995-09-20 EP disclosed
WO-1995009847-A1 PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CIBA-GEIGY AG (CH) 1995-04-13 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-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS MAPT 4164/4885HTT 2314/4885GAA 2375/4885

“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.