SCHEMBL3866103

SCHEMBL3866103

Nc1nc2ccc(-c3cc(Cl)nc(Cl)n3)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
BACE1 P56817 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
PLAU P00749 1/20 0.47
ALDH1A1 P00352 8/20 0.42
TDP1 Q9NUW8 3/20 0.42
MTOR P42345 2/20 0.42
PIK3CA P42336 1/20 0.42
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
MAPT P10636 6/20 0.41
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 5/20 0.41
GAA P10253 5/20 0.41
RAB9A P51151 5/20 0.41
HPGD P15428 4/20 0.41

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
SCHEMBL3830569 0.88 HTR3E (0.44) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL10051515 0.73 MEN1 (0.60) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL11713250 0.73 HTR3E (0.58) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL14964176 0.72 HTR3E (0.58) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL658809 0.72 HTR3E (1.00) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL11712219 0.71 ALDH1A1 (0.58) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL989969 0.69 ASIC3 (0.51) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL1887281 0.69 PLAU (0.61) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL31651401 0.69 PLAU (0.61) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL725354 0.68 PLAU (0.66) HTR3EHTR3BHTR3ABACE1HTR3D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713793-A4 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-09-02 EP disclosed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US disclosed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US disclosed
EP-1713793-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS Smithkline Beecham Corporation (US) 2006-10-25 EP disclosed
WO-2005076854-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO 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-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HIPK3, HIPK1, HIPK2 HTR3E 1887/4885HTR3B 2269/4885HTR3A 2217/4885

“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.