SCHEMBL3852166

SCHEMBL3852166

COc1nccnc1C=NO

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
HSP90AA1 P07900 1/20 0.35
FGF23 Q9GZV9 1/20 0.34
APLNR P35414 1/20 0.33
NFE2L2 Q16236 1/20 0.32
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 3/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL3852163 1.00 KDM4E (0.36) KDM4EL3MBTL1ALOX15HSP90AA1FGF23
SCHEMBL4909732 0.81 HPGD (0.38) FGF23HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL4909736 0.81 HPGD (0.38) FGF23HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL29060479 0.73 NFE2L2 (0.33) APLNRNFE2L2
SCHEMBL3915965 0.72 FGF23 (0.40) KDM4EL3MBTL1ALOX15FGF23HSD17B10
SCHEMBL29672053 0.72 NFE2L2 (0.37) KDM4EAPLNRNFE2L2ALDH1A1KMT2A
SCHEMBL1476027 0.72 NFE2L2 (0.37) KDM4EAPLNRNFE2L2ALDH1A1KMT2A
SCHEMBL896225 0.72 NFE2L2 (0.34) APLNRNFE2L2KMT2AMEN1
SCHEMBL28279220 0.72 NFE2L2 (0.34) APLNRNFE2L2KMT2AMEN1
SCHEMBL3915967 0.72 FGF23 (0.40) KDM4EL3MBTL1ALOX15FGF23HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 EP disclosed
US-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors ASRAZENECA (SE) 2008-07-17 US disclosed
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-1871771-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS AstraZeneca AB (SE) 2008-01-02 EP 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
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity ASTRAZENECA AB (SE) 2007-02-15 US disclosed
WO-2006109026-A1 4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-19 WO 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
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 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 (3 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-20080171742-A1 4-(Pyrid-2-Yl) Amino Substituted Pyrimidine as Protein Kinase Inhibitors IGF1R, IGFBP1, IRS1 KDM4E 2320/4885L3MBTL1 3359/4885ALOX15 4095/4885
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity IGF1R, IGFBP1, GPR119 KDM4E 3849/4885L3MBTL1 4125/4885ALOX15 2722/4885
US-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity IGF1R, IGFBP1, IGFBP2 KDM4E 3580/4885L3MBTL1 3645/4885ALOX15 3719/4885

“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.