SCHEMBL4909736

SCHEMBL4909736

CCOc1nccnc1C=NO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM5 P41594 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
AOC3 Q16853 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
FGF23 Q9GZV9 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
SCHEMBL4909732 1.00 HPGD (0.38) HPGDTSHRALDH1A1SMN1; SMN2HTT
SCHEMBL3852166 0.81 KDM4E (0.36) HPGDALDH1A1HTTCYP1A2CYP3A4
SCHEMBL3852163 0.81 KDM4E (0.36) HPGDALDH1A1HTTCYP1A2CYP3A4
SCHEMBL4917719 0.75 ALDH1A1 (0.40) HPGDTSHRALDH1A1SMN1; SMN2GRM5
SCHEMBL17063885 0.74 ALDH1A1 (0.46) HPGDTSHRALDH1A1HTTMAPK1
SCHEMBL17063886 0.74 ALDH1A1 (0.46) HPGDTSHRALDH1A1HTTMAPK1
SCHEMBL3922347 0.73 FGF23 (0.34) HPGDTSHRALDH1A1SMN1; SMN2HTT
SCHEMBL3922346 0.73 FGF23 (0.34) HPGDTSHRALDH1A1SMN1; SMN2HTT
SCHEMBL7598688 0.72 HPGD (0.52) HPGDTSHRALDH1A1SMN1; SMN2CYP1A2
Ammonia Solution, Strong SCHEMBL28789679 0.70 HPGD (0.50) HPGDTSHRALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity ASTRAZENECA AB (SE) 2008-07-03 US disclosed
EP-1863797-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006100461-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-09-28 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-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity IGF1R, IGFBP1, IGFBP2 HPGD 2451/4885TSHR 99/4885ALDH1A1 740/4885

“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.