SCHEMBL4854969

SCHEMBL4854969

CCc1ccc(NC(=N)c2cccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
NPC1 O15118 5/20 0.70
TRPV1 Q8NER1 1/20 0.55
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.48
NAMPT P43490 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL8252721 0.82 RAB9A (1.00) RAB9ASMN1; SMN2NPC1TRPV1POLB
SCHEMBL14223876 0.81 NPC1 (0.56) RAB9ASMN1; SMN2NPC1NPSR1ALDH1A1
SCHEMBL455628 0.81 NAMPT (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL14223443 0.80 RAB9A (0.48) RAB9ASMN1; SMN2NPC1NPSR1ALDH1A1
SCHEMBL4856199 0.80 CYP11B1 (0.51) RAB9ASMN1; SMN2NPC1POLBTP53
SCHEMBL4854662 0.79 KMT2A (0.52) RAB9ASMN1; SMN2NPC1POLBNPSR1
SCHEMBL4863530 0.79 KDM4E (0.59) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL5594818 0.77 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL4855896 0.77 RAB9A (0.70) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL28614091 0.74 RAB9A (0.51) RAB9ASMN1; SMN2NPC1TRPV1POLB

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 RAB9A 2079/4885SMN1; SMN2 2461/4885NPC1 1563/4885

“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.