SCHEMBL4338136

SCHEMBL4338136

COc1cc(OC)cc(-c2c[nH]nc2N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FGFR1 P11362 2/20 0.46
ABL1 P00519 2/20 0.43
ABCB1 P08183 2/20 0.43
BCR P11274 2/20 0.43
CYP1A1 P04798 3/20 0.42
CYP1B1 Q16678 3/20 0.42
FYN P06241 1/20 0.42
KIT P10721 1/20 0.41
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39

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
SCHEMBL4700185 0.82 TDO2 (0.55) ALDH1A1FYNKITCYP3A4DYRK1A
SCHEMBL1925802 0.74 NOS3 (0.34) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL11887684 0.70 GAA (1.00) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL31648381 0.70 FGFR1 (0.55) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL8992951 0.70 LTA4H (0.57) FGFR1
SCHEMBL9831105 0.69 TUBB1 (0.49) GAAMAPTKDM4E
SCHEMBL1165314 0.69 FYN (0.52) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1388414 0.69 FGFR1 (0.75) GAAMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL2954516 0.68 ALDH1A1 (0.79) ALDH1A1ABL1ABCB1BCRCYP1A1
SCHEMBL6226718 0.68 ALDH1A1 (0.53) GAAMAPTALDH1A1HPGDSMN1; SMN2

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
EP-2049539-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP disclosed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US disclosed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO disclosed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 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-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK GAA 1013/4885MAPT 2762/4885ALDH1A1 414/4885

“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.