SCHEMBL4860972

SCHEMBL4860972

CCc1ccc(N=C(N)c2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.58
NOS3 P29474 2/20 0.58
NOS2 P35228 2/20 0.58
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
PLAU P00749 1/20 0.53
PAX8 Q06710 3/20 0.51
NR2F2 P24468 1/20 0.51
KLF5 Q13887 1/20 0.51
PKM P14618 5/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
SIGMAR1 Q99720 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
SCHEMBL4862366 0.83 NPC1 (0.57) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL4854739 0.80 NOS3 (0.55) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL4855895 0.79 RAB9A (0.61) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL5594064 0.77 KDM4E (0.50) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL4861200 0.76 NOS3 (0.58) NOS1NOS3NOS2NPC1RAB9A
Hydrochloric Acid SCHEMBL11772966 0.74 MEN1 (0.63) NOS1NOS3NOS2PLAUGRIN2D
Ethylbenzene SCHEMBL28830423 0.73 NPC1 (0.53) NPC1RAB9APAX8NR2F2KLF5
SCHEMBL1428592 0.73 KDM4E (0.54) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL12560610 0.73 KDM4E (0.54) NOS1NOS3NOS2NPC1RAB9A
SCHEMBL834329 0.73 KDM4E (0.54) NOS1NOS3NOS2NPC1RAB9A

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 NOS1 3074/4885NOS3 3830/4885NOS2 3568/4885

“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.