SCHEMBL5813899

SCHEMBL5813899

Nc1n[nH]cc1-c1ccccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIM24 O15164 2/20 0.35
TRIM33 Q9UPN9 2/20 0.35
TSHR P16473 1/20 0.35
KCNN4 O15554 1/20 0.35
GAA P10253 1/20 0.34
CYP2A6 P11509 1/20 0.34
IMPDH2 P12268 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SRC P12931 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
SCHEMBL6003619 0.80 KDR (0.38) KMT2AMEN1TDP1ALDH1A1HPGD
SCHEMBL249552 0.76 KMT2A (0.71) XDHKMT2ALMNAMEN1THRB
SCHEMBL31175932 0.76 KMT2A (0.71) XDHKMT2ALMNAMEN1THRB
SCHEMBL1702959 0.74
SCHEMBL17338475 0.73 XDH (0.40) XDHKMT2ALMNAMEN1THRB
SCHEMBL27511393 0.73 KMT2A (0.67) XDHKMT2ALMNAMEN1THRB
SCHEMBL31588841 0.73 KMT2A (0.67) XDHKMT2ALMNAMEN1THRB
SCHEMBL643993 0.72 ALDH1A1 (0.59) XDHKMT2ALMNAMEN1THRB
SCHEMBL4419098 0.71 MEN1 (0.41) XDHKMT2ALMNAMEN1THRB
SCHEMBL28143063 0.70 XDH (0.39) XDHKMT2ALMNAMEN1THRB

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 9 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
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME 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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 US disclosed
US-4900836-A (3-amino-1H-pyrazol-4-yl) (aryl)methanones AMERICAN CYANAMID COMPANY (US) 1990-02-13 US disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP 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-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS XDH 615/4885KMT2A 2596/4885LMNA 3926/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS XDH 300/4885KMT2A 2890/4885LMNA 3307/4885

“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.