SCHEMBL2846546

SCHEMBL2846546

CN(CCCc1nc2c(N)cccc2[nH]1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
CACNA1G O43497 8/20 0.43
CACNA1C Q13936 3/20 0.43
CACNA1B Q00975 1/20 0.43
KCNH2 Q12809 3/20 0.39
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PARP1 P09874 2/20 0.35
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL2842599 0.84 CACNA1G (0.43) CHEK1CACNA1GCACNA1CCACNA1BKCNH2
SCHEMBL2848672 0.84 CACNA1G (0.41) CACNA1GCACNA1CCACNA1BKCNH2CCNE2
SCHEMBL27770765 0.75 PDK2 (0.39) L3MBTL1GBA1
SCHEMBL8326629 0.75 CYP1A2 (0.55) CACNA1GCACNA1CKCNH2POLBMAPT
SCHEMBL6943657 0.74 CACNA1G (0.57) CHEK1CACNA1GCACNA1CCACNA1BITGB3
SCHEMBL7967546 0.74 CHEK1 (0.51) CHEK1ITGB3ITGAVMEN1POLB
SCHEMBL16186544 0.73 CACNA1G (0.56) CHEK1CACNA1GCACNA1CCACNA1BCCNE2
SCHEMBL6813400 0.73 TDP1 (0.55) CACNA1GCACNA1CCACNA1BKCNH2POLB
SCHEMBL16186531 0.73 CACNA1B (0.73) CACNA1GCACNA1CCACNA1BTDP1PARP1
SCHEMBL939474 0.71 CACNA1G (0.53) CACNA1GCACNA1CCACNA1BPARP1CACNA1H

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
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A CHEK1 3357/4885CACNA1G 16/4885CACNA1C 12/4885

“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.