SCHEMBL4860965

SCHEMBL4860965

CCc1ccc(NC(=N)c2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.52
NPC1 O15118 7/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
PKM P14618 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
GRM4 Q14833 1/20 0.46
TLR7 Q9NYK1 1/20 0.45
HPGD P15428 1/20 0.44
CCR6 P51684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL25394146 0.88 RAB9A (0.46) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL8252606 0.83 RAB9A (0.69) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL4862360 0.83 KDR (0.56) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL14223875 0.81 NPC1 (0.49) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL14223457 0.80 NPC1 (0.47) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL25393684 0.80 KDR (0.59) RAB9ANPC1LMNASMN1; SMN2PKM
SCHEMBL4854729 0.80 KMT2A (0.51) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL4853449 0.79 NPC1 (0.51) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL4855888 0.79 RAB9A (0.71) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL5594062 0.77 NPC1 (0.56) RAB9ANPC1LMNASMN1; SMN2PKM

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 2079/4885NPC1 1563/4885ALDH1A1 272/4885

“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.