SCHEMBL4863129

SCHEMBL4863129

CCOc1ccc(N=C(N)c2ccc(SC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.58
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP10 Q53GL7 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4861886 0.84 NOS3 (0.54) MAPTNOS3NOS1PARP10PRSS1
SCHEMBL4854660 0.81 NOS1 (0.54) NOS3NOS1KDM4ESMN1; SMN2MEN1
SCHEMBL4857024 0.79 ADRA2A (0.61) ADRA2AMAPTLMNANPSR1KDM4E
SCHEMBL4853071 0.79 CYP2D6 (0.64) ADRA2AMAPTNOS3NOS1SMN1; SMN2
SCHEMBL6972139 0.78 NQO1 (0.67) ADRA2AMAPTLMNANPSR1KDM4E
SCHEMBL4852965 0.77 NOS1 (0.58) ADRA2AMAPTNOS3NOS1POLB
SCHEMBL4864124 0.77 NOS3 (0.58) ADRA2ALMNANOS3NOS1POLB
SCHEMBL4856119 0.77 NOS3 (0.58) ADRA2ALMNANOS3NOS1POLB
SCHEMBL4854767 0.77 NOS1 (0.58) ADRA2ANOS3NOS1SMN1; SMN2MEN1
SCHEMBL4857038 0.77 NOS1 (0.58) ADRA2ANOS3NOS1SMN1; SMN2MEN1

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 2 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-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 ADRA2A 1913/4885MAPT 28/4885LMNA 4005/4885

“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.