SCHEMBL2849291

SCHEMBL2849291

CNCCCc1nc2cccc(O)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
PARP1 P09874 1/20 0.40
HTT P42858 2/20 0.38
HTR2A P28223 1/20 0.38
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10397232 0.80 PARP1 (0.44) POLBPARP1SMN1; SMN2KDM4E
SCHEMBL2844595 0.79 TP53 (0.43) POLBPARP1SMN1; SMN2
SCHEMBL2843289 0.78 KDM4E (0.37) POLBHTTPKMSMN1; SMN2KDM4E
SCHEMBL1884521 0.76 POLB (0.72) POLBHTTPKMSMN1; SMN2KDM4E
SCHEMBL9533110 0.75 TDP1 (0.41) POLBHTTPKMKDM4E
SCHEMBL28125053 0.73 ACHE (0.39) POLBPARP1HTTPKMKDM4E
SCHEMBL4066028 0.73 KDM4E (0.40) HTTPKMSMN1; SMN2KDM4E
SCHEMBL9540475 0.73 GAA (0.58) PKMKDM4E
SCHEMBL6367768 0.72 PARP1 (0.39) POLBPARP1
SCHEMBL6795421 0.72 GAA (0.57) POLBHTTPKM

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 POLB 2616/4885PARP1 1621/4885HTT 2887/4885

“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.