SCHEMBL3842440

SCHEMBL3842440

O=C(Nc1nc2cc(-c3cc(=O)[nH]c(NCCCN4CCCC4=O)n3)ccc2[nH]1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RCE1 Q9Y256 1/20 0.39
ITK Q08881 1/20 0.38
ALDH1A1 P00352 8/20 0.37
HPGD P15428 4/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
APAF1 O14727 1/20 0.37
PPARG P37231 1/20 0.37
RECQL P46063 1/20 0.37
SMAD3 P84022 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL14513962 0.94 MAPK1 (0.46) MAPK1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3846770 0.83 NPC1 (0.48) MAPK1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3851071 0.81 SMN1; SMN2 (0.51) MAPK1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3844543 0.81 SMN1; SMN2 (0.54) MAPK1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3842878 0.79 KDM4E (0.49) MAPK1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3842188 0.78 KDM4E (0.57) MAPK1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL5633165 0.78 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2NPC1RAB9AITK
SCHEMBL3843297 0.77 KDM4E (0.53) MAPK1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL14513954 0.76 SMN1; SMN2 (0.48) MAPK1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3843039 0.76 KDM4E (0.52) KDM4ESMN1; SMN2NPC1RAB9AITK

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 claimed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US claimed
EP-1713793-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS Smithkline Beecham Corporation (US) 2006-10-25 EP claimed
WO-2005076854-A2 PYRIMIDINONE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO claimed
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 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-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HIPK3, HIPK1, HIPK2 MAPK1 442/4885KDM4E 1975/4885SMN1; SMN2 1981/4885

“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.