SCHEMBL2886067

SCHEMBL2886067

N#CC(=Cc1ccc(C#N)cc1)c1nc2ccccc2s1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
MAPT P10636 5/20 0.74
LMNA P02545 3/20 0.74
RECQL P46063 2/20 0.74
KDM4E B2RXH2 1/20 0.74
ALDH1A1 P00352 3/20 0.66
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
POLB P06746 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL2886066 1.00 MEN1 (0.74) MEN1KMT2AMAPTLMNARECQL
SCHEMBL27983252 0.89 MEN1 (0.82) MEN1KMT2AMAPTLMNARECQL
SCHEMBL5594992 0.88 MEN1 (0.76) MEN1KMT2AMAPTLMNARECQL
SCHEMBL12310898 0.88 MEN1 (0.76) MEN1KMT2AMAPTLMNARECQL
SCHEMBL2522255 0.87 MEN1 (0.74) MEN1KMT2AMAPTLMNARECQL
SCHEMBL2522254 0.87 MEN1 (0.74) MEN1KMT2AMAPTLMNARECQL
SCHEMBL2522250 0.87 MEN1 (0.74) MEN1KMT2AMAPTLMNARECQL
SCHEMBL17131903 0.85 MEN1 (1.00) MEN1KMT2AMAPTLMNARECQL
SCHEMBL17131948 0.85 MEN1 (1.00) MEN1KMT2AMAPTLMNARECQL
SCHEMBL9239089 0.84 MEN1 (0.73) MEN1KMT2AMAPTLMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
EP-1537081-B1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2008-10-15 EP disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
EP-1537081-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2005-06-08 EP disclosed
WO-2004020412-A1 DIHYDROPYRIDINE DERIVATIVES FOR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 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-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors SERPINB1, ELANE, MPO MEN1 4718/4885KMT2A 4293/4885MAPT 4350/4885

“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.