SCHEMBL798739

SCHEMBL798739

COc1cncc(-c2cc(NC(=O)Nc3ccccc3OCCC(C)C)nn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
FYN P06241 4/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PABPC1 P11940 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GCK P35557 1/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC5A1 P13866 1/20 0.37
LPAR1 Q92633 1/20 0.37
PPIA P62937 1/20 0.36

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
SCHEMBL799281 0.86 KMT2A (0.49) KDM4EMEN1KMT2ASMN1; SMN2PABPC1
SCHEMBL172135 0.81 MAPT (0.48) KDM4EFYNMEN1KMT2ASMN1; SMN2
SCHEMBL799359 0.81 ALDH1A1 (0.46) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL171905 0.81 PIK3CA (0.52)
SCHEMBL798968 0.78 PIK3CG (0.60)
SCHEMBL799160 0.75 MEN1 (0.48) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL14517911 0.73 KDM4E (0.73) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL799248 0.72 PIK3CA (0.48) MAPT
SCHEMBL19307111 0.70 KDM4E (0.53) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL29614706 0.70 KDM4E (0.53) KDM4EMEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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 (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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KDM4E 2191/4885FYN 1850/4885MEN1 2694/4885

“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.