SCHEMBL16472185

SCHEMBL16472185

Cc1cccc2c(=O)[nH]c3sc(CN(C)C)cc3c12

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.74
TNKS O95271 8/20 0.48
TNKS2 Q9H2K2 2/20 0.38
PIM1 P11309 3/20 0.38
PIM2 Q9P1W9 3/20 0.38
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL1549098 0.86 PARP1 (0.98) PARP1TNKSPIM1PIM2
SCHEMBL1549108 0.86 PARP1 (0.72) PARP1TNKSPIM1PIM2
Hydrochloric Acid SCHEMBL1549634 0.85 PARP1 (0.95) PARP1TNKSPIM1PIM2
Water SCHEMBL1549890 0.85 PARP1 (0.95) PARP1TNKSPIM1PIM2
Bromide SCHEMBL1549763 0.85 PARP1 (1.00) PARP1TNKSPIM1PIM2
Hydrochloric Acid SCHEMBL1549570 0.85 PARP1 (0.71) PARP1TNKSPIM1PIM2
SCHEMBL1549386 0.84 PARP1 (0.69) PARP1TNKSTNKS2MAPK1
Hydrochloric Acid SCHEMBL4326864 0.83 PARP1 (0.68) PARP1TNKSTNKS2MAPK1
SCHEMBL424273 0.82 PARP1 (0.97) PARP1TNKSTNKS2PIM1PIM2
Hydrochloric Acid SCHEMBL4326979 0.81 PARP1 (1.00) PARP1TNKSTNKS2PIM1PIM2

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
US-9079915-B2 Thienyl- and furanyl-isoquinolinones and methods for using them Pellicciari, Robert (IT) 2015-07-14 US disclosed
US-20140107117-A1 Thienyl- and Furanyl-Isoquinolinones and Methods for Using Them Moroni, Flavio (IT) 2014-04-17 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-20140107117-A1 Thienyl- and Furanyl-Isoquinolinones and Methods for Using Them PARP1, PARP2, PARP15 PARP1 1/4885TNKS 13/4885TNKS2 20/4885

“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.