SCHEMBL4858623

SCHEMBL4858623

CC(C)c1ccc(NC(=N)c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
KIF11 P52732 1/20 0.44
FFAR2 O15552 1/20 0.43
FLT1 P17948 2/20 0.43
KDR P35968 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL4861779 0.82 CA1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AGAA
SCHEMBL28144741 0.82 RAB9A (0.50) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL14223760 0.80 GAA (0.50) SMN1; SMN2KMT2AGAAMAPK1ALDH1A1
SCHEMBL4854779 0.79 KMT2A (0.58) NPC1RAB9ASMN1; SMN2KMT2AGAA
SCHEMBL14223877 0.79 GAA (0.48) TP53SMN1; SMN2KMT2AGAAMAPK1
SCHEMBL4860027 0.78 GAA (0.44) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL4861618 0.77 KDM4E (0.43) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL5594417 0.76 NAMPT (0.47) KMT2AGAAROCK2ALDH1A1LMNA
SCHEMBL6154563 0.75 KIF11 (0.53) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL23410460 0.75 KMT2A (0.64) NPC1RAB9ASMN1; SMN2KMT2AMAPK1

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-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP NPC1 1563/4885RAB9A 2079/4885TP53 1990/4885

“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.