SCHEMBL798727

SCHEMBL798727

CC(C)c1cn2nc(C(C)C)cnc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
GRK5 P34947 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
ACVR1 Q04771 1/20 0.33
PTK2 Q05397 1/20 0.33
TYRO3 Q06418 1/20 0.33
MAP4K2 Q12851 1/20 0.33
DYRK1A Q13627 1/20 0.33
IKBKE Q14164 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL25481477 0.73 PDE10A (0.31)
SCHEMBL798765 0.70 NPC1 (0.34) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL798899 0.69 KDM5B (0.33) KDM5B
SCHEMBL14701602 0.68 KDM5B (0.33) KDM5B
SCHEMBL25825609 0.67 AKT1 (0.34) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14701746 0.67 KDM5B (0.32) KDM5B
SCHEMBL14701603 0.67 GRM5 (0.33) KDM5B
SCHEMBL798826 0.67 DYRK1A (0.34) DYRK1A
SCHEMBL13086732 0.67
SCHEMBL18237630 0.64 MAP4K4 (0.33) MEN1KMT2AMAP4K4

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 1 patent. 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

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 NPC1 1283/4885RAB9A 1096/4885MEN1 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.