SCHEMBL3089786

SCHEMBL3089786

N#Cc1c(-c2cccs2)ccnc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.56
ADORA1 P30542 8/20 0.56
ADORA2B P29275 2/20 0.56
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
HPGD P15428 3/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
HCRTR1 O43613 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3089781 0.89 ADORA2A (0.56) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL7219981 0.81 ALDH1A1 (0.61) ADORA2AADORA1KDM4EALDH1A1KMT2A
SCHEMBL17971413 0.78 KDM4E (0.49) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL12679744 0.72 ADORA2A (0.54) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL27573284 0.71 ADORA1 (1.00) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL5329331 0.70 ADORA1 (0.56) ADORA2AADORA1ADORA2BCDK2HSD17B10
SCHEMBL28755209 0.68 CDK5 (0.45) ADORA2AADORA1KDM4EALDH1A1KMT2A
SCHEMBL12612051 0.68
SCHEMBL12096896 0.67 KDM4E (0.51) ADORA2AADORA1ADORA2BKDM4EALDH1A1
SCHEMBL768849 0.67 ADORA2A (0.49) ADORA2AADORA1ADORA2BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 ADORA2A 1121/4885ADORA1 871/4885ADORA2B 1916/4885

“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.