SCHEMBL4251072

SCHEMBL4251072

C=CCC(=O)Nc1ccnnn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
GAA P10253 2/20 0.34
NQO2 P16083 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
WNT3A P56704 2/20 0.32
GLS O94925 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL6491513 0.78 EGFR (0.45)
SCHEMBL8536931 0.73 HCAR2 (0.33) NPC1SMN1; SMN2WNT3ARAB9A
SCHEMBL9346948 0.73 SMN1; SMN2 (0.41) NPC1GAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL5182822 0.72 GAA (0.69) NPC1GAASMN1; SMN2ALDH1A1CHRNB2
SCHEMBL11296558 0.72 L3MBTL1 (0.44) NPC1GAASMN1; SMN2GLSRAB9A
SCHEMBL513745 0.72 NR3C2 (0.38) NPC1GAAALDH1A1
SCHEMBL88751 0.70 ALDH1A1 (0.39) NPC1GAASMN1; SMN2GSK3BALDH1A1
SCHEMBL9790163 0.69 RAB9A (0.36) NPC1SMN1; SMN2RAB9A
SCHEMBL3368295 0.69 KDM4E (0.44) NPC1GAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL18618752 0.69 NPC1 (0.36) NPC1GAASMN1; SMN2ALDH1A1CHRNB2

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 6 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-7371856-B2 Preparation of alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2008-05-13 US disclosed
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-7169923-B2 Method for preparing alkoxycarbonylamino-triazines BASF AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-20060069254-A1 Method for the production of alkoxycarbonylamino triazines BASF AKTIENGESELLSCHAFT (DE) 2006-03-30 US disclosed
US-20040249149-A1 Method for preparing alkoxycarbonylamino-triazines BASF AKTIENGESELLSCHAFT (DE) 2004-12-09 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 (3 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-20040249149-A1 Method for preparing alkoxycarbonylamino-triazines ADH1C, PNMT, TET2 NPC1 4123/4885GAA 2099/4885NQO2 1630/4885
US-20060069254-A1 Method for the production of alkoxycarbonylamino triazines ADH1C, ADH5, ADH1A NPC1 3027/4885GAA 1219/4885NQO2 576/4885
US-20070083047-A1 Preparation of Alkoxycarbonylaminotriazines ADH1C, TET2, PNMT NPC1 4355/4885GAA 1542/4885NQO2 1630/4885

“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.