SCHEMBL1898975

SCHEMBL1898975

CC/C(=C\c1c(C)nc(SC)nc1NC(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1898976 1.00 KDM4E (0.35) KDM4EMAPK1HSD17B10LMNAALDH1A1
SCHEMBL1900693 0.85 KDM4E (0.36) KDM4EMAPK1HSD17B10LMNAALDH1A1
SCHEMBL1900697 0.85 KDM4E (0.36) KDM4EMAPK1HSD17B10LMNAALDH1A1
SCHEMBL1900436 0.78 ALDH1A1 (0.37) KDM4EMAPK1HSD17B10LMNAALDH1A1
SCHEMBL1900433 0.78 ALDH1A1 (0.37) KDM4EMAPK1HSD17B10LMNAALDH1A1
SCHEMBL3338949 0.75 ADORA3 (0.34) KDM4EMAPK1
SCHEMBL3338938 0.75 ADORA3 (0.34) KDM4EMAPK1
SCHEMBL20614361 0.67 PDE10A (0.37) KDM4EMAPK1HSD17B10LMNAHTT
SCHEMBL1898608 0.65 MAPK1 (0.34) KDM4EMAPK1HSD17B10LMNAHTT
SCHEMBL23524631 0.64 MEN1 (0.38) MAPK1HSD17B10ALDH1A1MAPTRAB9A

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-8044062-B2 Substituted pyrido[2,3-d]pyrimidin-7(8H)-one inhibitors of phospatidylinositol 3-kinase alpha EXELIXIS, INC. (US) 2011-10-25 US disclosed
US-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS, INC. (US) 2011-09-29 US disclosed
EP-2322523-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha Exelixis, Inc. (US) 2011-05-18 EP 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-20110237608-A1 Pyridopyrimidinone Inhibitors of PI3Kalpha PIK3CA, PIK3CD, PIK3CB KDM4E 2601/4885MAPK1 87/4885HSD17B10 1411/4885

“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.