SCHEMBL811103

SCHEMBL811103

Cn1cc2c(=O)cc[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.47
ADORA1 P30542 2/20 0.47
CCR8 P51685 1/20 0.41
KMT2A Q03164 2/20 0.39
CSNK1D P48730 4/20 0.39
MAPK14 Q16539 3/20 0.39
MAPK11 Q15759 1/20 0.39
KDM4E B2RXH2 1/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL18081928 0.73 ADORA2A (0.50) ADORA2AADORA1CCR8KMT2AKDM4E
SCHEMBL22216158 0.70 PARP1 (0.37) ADORA2AKDM4EALDH1A1POLBRAB9A
SCHEMBL16631753 0.68 ADORA2A (0.49) ADORA2AADORA1CCR8KMT2AKDM4E
SCHEMBL18080573 0.68 ADORA2A (0.50) ADORA2AADORA1CCR8KMT2AKDM4E
SCHEMBL18080575 0.66 ADORA2A (0.48) ADORA2AADORA1CCR8KMT2AKDM4E
SCHEMBL16631757 0.66 ADORA2A (0.46) ADORA2AADORA1CCR8KMT2AKDM4E
SCHEMBL23891978 0.65 PRKCI (0.42) ADORA2AADORA1CSNK1DMAPK14MAPK11
SCHEMBL2077106 0.64 GDA (0.44) ADORA2AADORA1KMT2AKDM4EADORA3
SCHEMBL8039008 0.64 ADORA1 (1.00) ADORA2AADORA1CCR8KMT2AKDM4E
SCHEMBL20551376 0.63 ALDH1A1 (0.42) ADORA2AADORA1CCR8KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ADORA2A 3844/4885ADORA1 3948/4885CCR8 462/4885

“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.