SCHEMBL1930658

SCHEMBL1930658

N#CC(C#N)=Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
MEN1 O00255 10/20 0.43
KMT2A Q03164 10/20 0.43
ALDH1A1 P00352 9/20 0.43
MAPT P10636 8/20 0.43
KDM4E B2RXH2 7/20 0.43
LMNA P02545 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
POLB P06746 1/20 0.43
EGFR P00533 5/20 0.42
GABRA1 P14867 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
CYP3A4 P08684 5/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP2C9 P11712 4/20 0.41
HPGD P15428 4/20 0.41
TP53 P04637 3/20 0.41

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
SCHEMBL4656018 0.79 ALDH1A1 (0.43) TRPA1MEN1KMT2AALDH1A1MAPT
SCHEMBL6839476 0.78 TRPA1 (0.62) TRPA1MEN1KMT2AALDH1A1MAPT
SCHEMBL15286525 0.76 EGFR (0.59) TRPA1MEN1KMT2AALDH1A1MAPT
SCHEMBL14689684 0.75 EGFR (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2458555 0.75 EGFR (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL272063 0.74 GABRA1 (0.69) TRPA1MEN1KMT2AALDH1A1MAPT
SCHEMBL1930217 0.71 TRPA1 (0.41) TRPA1MEN1KMT2AALDH1A1MAPT
SCHEMBL8261309 0.70 TSHR (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL271573 0.69 TRPA1 (0.61) TRPA1MEN1KMT2AALDH1A1MAPT
SCHEMBL10618694 0.67 ALDH1A1 (0.35) TRPA1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956061-B2 Bicyclic pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-06-07 US disclosed
US-7956061-B2 Bicyclic pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-06-07 US disclosed
US-7956061-B2 Bicyclic pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2011-06-07 US disclosed
EP-1841770-B1 BICYCLIC PYRIMIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2009-11-11 EP disclosed
US-20090105210-A1 Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-20090105210-A1 Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-20090105210-A1 Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2009-04-23 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-20090105210-A1 Bicyclic Pyrimidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 TRPA1 3780/4885MEN1 4799/4885KMT2A 2849/4885

“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.