SCHEMBL4861785

SCHEMBL4861785

Cc1ccc(N=C(N)c2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.62
HIF1A Q16665 1/20 0.62
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR3A P46098 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
SLC22A2 O15244 1/20 0.53
SLC22A1 O15245 1/20 0.53
SLC22A3 O75751 1/20 0.53
PLAU P00749 1/20 0.53
PLG P00747 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 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
SCHEMBL4854784 0.81 SLC22A2 (0.53) CYP2D6HIF1ASLC22A2SLC22A1SLC22A3
SCHEMBL4853050 0.81 CYP2D6 (0.85) CYP2D6HIF1AHTR3EHTR3BHTR3A
SCHEMBL11789365 0.81 CYP2D6 (0.85) CYP2D6HIF1AHTR3EHTR3BHTR3A
SCHEMBL4858634 0.81 ALDH1A1 (0.50) CYP2D6HIF1APLGKMT2AMEN1
Hydrochloric Acid SCHEMBL11769271 0.79 CYP2D6 (0.82) CYP2D6HIF1AHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL11769269 0.79 CYP2D6 (0.82) CYP2D6HIF1AHTR3EHTR3BHTR3A
SCHEMBL5594422 0.78 MAPT (0.46) CYP2D6HIF1APLGKMT2AMEN1
SCHEMBL4857024 0.77 ADRA2A (0.61) KMT2AALDH1A1LMNAMAPTNPSR1
SCHEMBL28873290 0.77 CYP2D6 (1.00) CYP2D6HIF1AHTR3EHTR3BHTR3A
SCHEMBL12463808 0.77 CYP2D6 (1.00) CYP2D6HIF1AHTR3EHTR3BHTR3A

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 CYP2D6 16/4885HIF1A 4398/4885HTR3E 2015/4885

“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.