SCHEMBL18711684

SCHEMBL18711684

Cc1nc2c(c(=O)[nH]1)COC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
PARP15 Q460N3 1/20 0.49
PARP3 Q9Y6F1 1/20 0.49
WNT3A P56704 10/20 0.43
TNKS2 Q9H2K2 10/20 0.43
SPR P35270 3/20 0.38
TYMS P04818 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
TNKS O95271 1/20 0.35

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
SCHEMBL31128515 0.84 TNKS2 (0.50) PARP1PARP15PARP3WNT3ATNKS2
SCHEMBL7776894 0.84 TNKS2 (0.61) PARP1PARP15PARP3WNT3ATNKS2
SCHEMBL31150947 0.77 TNKS2 (0.38) WNT3ATNKS2SPRALDH1A1TNKS
SCHEMBL18689611 0.77 TNKS2 (0.43) WNT3ATNKS2SPRALDH1A1TNKS
SCHEMBL18711685 0.77 TNKS2 (0.38) WNT3ATNKS2SPRTNKS
SCHEMBL18701496 0.77 TNKS2 (0.39) WNT3ATNKS2SPRL3MBTL1TNKS
SCHEMBL10150407 0.74 PARP1 (0.59) PARP1PARP15PARP3SPRALDH1A1
SCHEMBL18711836 0.74 PARP1 (0.62) PARP1PARP15PARP3TYMSALDH1A1
SCHEMBL12102083 0.73 PARP1 (0.41) PARP1PARP15PARP3TNKS2TYMS
SCHEMBL3119493 0.72 PARP1 (0.47) PARP1PARP15PARP3TNKS2TYMS

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
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR PARP1 2611/4885PARP15 1362/4885PARP3 1068/4885

“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.