SCHEMBL3846770

SCHEMBL3846770

CN(C)CCCNc1nc(-c2ccc3[nH]c(NC(=O)c4cccs4)nc3c2)cc(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ITK Q08881 1/20 0.43
MAPT P10636 7/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 3/20 0.38
APAF1 O14727 2/20 0.38
PPARG P37231 1/20 0.38
RECQL P46063 1/20 0.38
SMAD3 P84022 1/20 0.38
PTK2B Q14289 1/20 0.38
ESR2 Q92731 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ABL1 P00519 2/20 0.38

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
SCHEMBL14513954 0.94 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2KDM4EITK
SCHEMBL3851071 0.88 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2KDM4EITK
SCHEMBL3844543 0.87 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2KDM4EITK
SCHEMBL3842440 0.83 MAPK1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EITK
SCHEMBL5633165 0.82 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2KDM4EITK
SCHEMBL3842878 0.81 KDM4E (0.49) NPC1RAB9ASMN1; SMN2KDM4EITK
SCHEMBL3842312 0.81 KDM4E (0.50) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL14513948 0.81 KDM4E (0.51) NPC1RAB9ASMN1; SMN2KDM4EITK
SCHEMBL3842188 0.81 KDM4E (0.57) NPC1RAB9ASMN1; SMN2KDM4EITK
SCHEMBL14513963 0.81 KDM4E (0.54) NPC1RAB9ASMN1; SMN2KDM4EITK

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 NPC1 3400/4885RAB9A 2103/4885SMN1; 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.