SCHEMBL5633833

SCHEMBL5633833

COc1ccccc1Nc1nc(-c2ccc3[nH]c(NC(=O)c4cccs4)nc3c2)cc(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
APLNR P35414 1/20 0.48
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
ADORA2A P29274 2/20 0.45
STK33 Q9BYT3 6/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
USP2 O75604 1/20 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
SCHEMBL14513951 0.94 NPC1 (0.51) NPC1RAB9AKDM4ESMN1; SMN2APLNR
SCHEMBL3852588 0.91 SMN1; SMN2 (0.48) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3844820 0.89 KDM4E (0.53) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3847287 0.88 NPC1 (0.53) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3903906 0.88 SMN1; SMN2 (0.53) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3845531 0.86 RAB9A (0.51) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL4369148 0.86 RAB9A (0.49) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3842188 0.86 KDM4E (0.57) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3843039 0.83 KDM4E (0.52) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL3843297 0.83 KDM4E (0.53) NPC1RAB9AKDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117818-A1 Pyrimidinone compounds useful as kinase inhibitors HASEGAWA MASAICHI 2007-05-24 US 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 2103/4885KDM4E 1975/4885

“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.