SCHEMBL15831714

SCHEMBL15831714

Oc1nc(O)c2c(n1)CCCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.43
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BPTF Q12830 1/20 0.41
NSD2 O96028 1/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
BCHE P06276 3/20 0.34
CYP1A2 P05177 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 3/20 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
SCHEMBL6457198 0.98 ACHE (0.44) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL29466625 0.98 ACHE (0.44) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL1821069 0.93 ACHE (0.43) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL30350953 0.93 ACHE (0.43) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL13056597 0.78 ACHE (0.40) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL4123899 0.78 KDM4E (0.57) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL929263 0.78 ACHE (0.40) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL10513696 0.76 KDM4E (0.44) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL8943915 0.76 ACHE (0.41) ACHEMAPK1MEN1KMT2ABPTF
SCHEMBL8574606 0.76 ACHE (0.41) ACHEMAPK1MEN1KMT2ABPTF

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
US-9499519-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-22 US disclosed
US-9422267-B2 Fused pyrimidine compounds and use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-23 US disclosed
US-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2016-03-10 US disclosed
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-26 US 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-20160068513-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, FGFR3, FGFR1 ACHE 4706/4885MAPK1 620/4885MEN1 2958/4885
US-20140179668-A1 FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF IGF1R, IPMK, IP6K2 ACHE 4211/4885MAPK1 437/4885MEN1 1982/4885

“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.