SCHEMBL6418477

SCHEMBL6418477

O=c1[nH]c(CCCC2CC(c3ccc(-c4ccccc4)cc3)=CCN2)nc2c1CSCC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 15/20 0.43
TNKS O95271 5/20 0.40
TNKS2 Q9H2K2 5/20 0.40
PARP3 Q9Y6F1 2/20 0.40
WNT3A P56704 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
AXIN2 Q9Y2T1 1/20 0.40
PARP15 Q460N3 1/20 0.38
HTR2C P28335 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
SCHEMBL6649328 0.98 PARP1 (0.44) PARP1TNKSTNKS2PARP3WNT3A
SCHEMBL6647363 0.91 PARP1 (0.42) PARP1TNKSTNKS2PARP3WNT3A
SCHEMBL6651964 0.91 PARP1 (0.42) PARP1TNKSTNKS2PARP3WNT3A
SCHEMBL6647352 0.89 TNKS2 (0.47) PARP1TNKSTNKS2PARP3WNT3A
SCHEMBL6651974 0.88 TNKS (0.39) PARP1TNKSTNKS2PARP3WNT3A
SCHEMBL6648890 0.85 PARP1 (0.56) PARP1TNKSTNKS2HTR2C
SCHEMBL6646707 0.85 PARP1 (0.58) PARP1TNKSTNKS2HTR2C
SCHEMBL6651055 0.82 PARP1 (0.45) PARP1TNKSTNKS2HTR2C
SCHEMBL6650044 0.80 PARP1 (0.51) PARP1
Hydrochloric Acid SCHEMBL7018458 0.77 PARP1 (0.55) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080096-A1 Condensed heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-14 US disclosed
EP-1469854-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-27 EP disclosed
WO-2003063874-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-07 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-20050080096-A1 Condensed heterocyclic compounds PARP1, PARP2, PARP3 PARP1 1/4885TNKS 57/4885TNKS2 85/4885

“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.