SCHEMBL3390804

SCHEMBL3390804

Cn1cncc1CCNC(=O)CC#N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.45
NAMPT P43490 4/20 0.43
F10 P00742 1/20 0.40
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PREP P48147 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL12992190 0.80 TSHR (0.46) NAMPTALDH1A1
SCHEMBL25217416 0.79 NAMPT (0.47) NAMPTF10PIK3CAPIK3CGPRMT5
SCHEMBL18381246 0.77 SMN1; SMN2 (0.46) NAMPTF10
SCHEMBL5632632 0.76 ACE2 (0.38) MCL1
SCHEMBL4600447 0.76 ACE2 (0.38) MCL1
SCHEMBL14602509 0.76 ACACB (0.43) MCL1CYP11B1CYP11B2NTRK1
SCHEMBL12329647 0.74 NAMPT (0.42) NAMPTF10PIK3CAPIK3CGPRMT5
SCHEMBL21139472 0.72 NAMPT (0.55) NAMPTPRMT5WDR77POLBGAA
SCHEMBL12299356 0.72 NAMPT (0.39) NAMPTF10PIK3CAPIK3CGPRMT5
SCHEMBL31369919 0.71 NAMPT (0.41) NAMPTPIK3CAPIK3CGCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430018-B1 METHOD FOR PRODUCING BETA-ALANINE AMIDES LONZA AG (CH) 2010-12-29 EP claimed
US-7358393-B2 Method for preparing β-alaninamides LONZA LTD. (CH) 2008-04-15 US claimed
US-20040220410-A1 Method for preparing beta-alanine amides LONZA AG (CH) 2004-11-04 US claimed
EP-1430018-A1 METHOD FOR PRODUCING BETA-ALANINE AMIDES LONZA AG (CH) 2004-06-23 EP claimed
WO-2003022795-A1 METHOD FOR PRODUCING BETA-ALANINE AMIDES LONZA AG (CH) 2003-03-20 WO claimed
EP-1430018-B1 METHOD FOR PRODUCING BETA-ALANINE AMIDES LONZA AG (CH) 2010-12-29 EP disclosed
EP-1430018-B1 METHOD FOR PRODUCING BETA-ALANINE AMIDES LONZA AG (CH) 2010-12-29 EP disclosed
US-7358393-B2 Method for preparing β-alaninamides LONZA LTD. (CH) 2008-04-15 US disclosed
US-7358393-B2 Method for preparing β-alaninamides LONZA LTD. (CH) 2008-04-15 US disclosed
US-7358393-B2 Method for preparing β-alaninamides LONZA LTD. (CH) 2008-04-15 US disclosed
US-20040220410-A1 Method for preparing beta-alanine amides LONZA AG (CH) 2004-11-04 US disclosed
EP-1430018-A1 METHOD FOR PRODUCING BETA-ALANINE AMIDES LONZA AG (CH) 2004-06-23 EP disclosed
WO-2003022795-A1 METHOD FOR PRODUCING BETA-ALANINE AMIDES LONZA AG (CH) 2003-03-20 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-20040220410-A1 Method for preparing beta-alanine amides HNMT, AADAT, HRH3 MCL1 3004/4885NAMPT 2172/4885F10 2638/4885

“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.