SCHEMBL13127271

SCHEMBL13127271

NC(N)=NC(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
PKM P14618 4/20 0.49
MITF O75030 2/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
KMT2A Q03164 2/20 0.48
GSK3B P49841 1/20 0.47
MAPK1 P28482 1/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
PLAU P00749 1/20 0.46

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
SCHEMBL2441765 0.80 CES2 (0.59) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL2006799 0.79 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL28701753 0.79 CES2 (0.49) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL15638569 0.78 KMT2A (0.59) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL4703400 0.78 CES2 (0.61) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL30976528 0.78 CES2 (0.61) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL3237973 0.78 CES2 (0.61) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL61183 0.77
SCHEMBL1505348 0.77
SCHEMBL4914089 0.77 CES2 (0.67) CES2CES1LMNAL3MBTL1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240896-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2010-09-23 US disclosed
US-20100240896-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2010-09-23 US disclosed
WO-2009059963-A1 METHOD FOR HYDROFORMYLATION BASF SE (DE) 2009-05-14 WO 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-20100240896-A1 METHOD FOR HYDROFORMYLATION CBR3, GRHPR, PRDX2 CES2 3877/4885CES1 3887/4885LMNA 1077/4885

“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.