SCHEMBL4088722

SCHEMBL4088722

O=CC(=O)Nc1ncncn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
LMNA P02545 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CTDSP1 Q9GZU7 1/20 0.31
HTT P42858 2/20 0.31
HPGD P15428 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5931306 0.81 TGM2 (0.44) EPHX2LMNA
Methylamine SCHEMBL27678870 0.76 TGM2 (0.42) EPHX2LMNA
SCHEMBL2472029 0.75 EPHX2 (0.44) EPHX2LMNAHTTKDM4E
SCHEMBL26080176 0.74 POLB (0.32) RAB9ASMN1; SMN2
SCHEMBL513746 0.73 EPHX2 (0.43) EPHX2LMNANPC1HTTKDM4E
SCHEMBL3675918 0.73 EPHX2 (0.47) EPHX2LMNAHTTKDM4E
SCHEMBL3368297 0.70 EPHX2 (0.41) EPHX2LMNANPC1RAB9ASMN1; SMN2
SCHEMBL9790159 0.70 EPHX2 (0.41) EPHX2LMNAHTT
SCHEMBL28269863 0.69 ADORA1 (0.47) LMNAHTTHPGD
SCHEMBL4251073 0.68 LMNA (0.38) EPHX2LMNANPC1SMN1; SMN2HTT

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-7507818-B2 Method for the production of alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2009-03-24 US disclosed
US-20060069254-A1 Method for the production of alkoxycarbonylamino triazines BASF AKTIENGESELLSCHAFT (DE) 2006-03-30 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-20060069254-A1 Method for the production of alkoxycarbonylamino triazines ADH1C, ADH5, ADH1A EPHX2 1165/4885LMNA 1887/4885NPC1 3027/4885

“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.