SCHEMBL13675325

SCHEMBL13675325

Cc1cc(N2C[C@@H](C)N[C@@H](C)C2)ncc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
AR P10275 3/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
MCHR1 Q99705 2/20 0.37
HDAC1 Q13547 1/20 0.35
NMT1 P30419 1/20 0.34
SOS1 Q07889 6/20 0.34
WEE1 P30291 1/20 0.34
CLK2 P49760 2/20 0.33
LRRK2 Q5S007 2/20 0.33
BRAF P15056 1/20 0.33
WDR5 P61964 1/20 0.33

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
SCHEMBL1470668 0.84 AR (0.40) TNKSPARP1PARP15PARP14TNKS2
SCHEMBL1470665 0.84 AR (0.40) TNKSPARP1PARP15PARP14TNKS2
SCHEMBL28499130 0.78 TNKS (0.43) TNKSPARP1PARP15PARP14TNKS2
SCHEMBL23489757 0.75 EIF2AK4 (0.42) PARP1EIF2AK4HDAC1
SCHEMBL18826007 0.75 EIF2AK4 (0.42) PARP1EIF2AK4HDAC1
SCHEMBL29861831 0.75 EIF2AK4 (0.42) PARP1EIF2AK4HDAC1
SCHEMBL23489511 0.75 EIF2AK4 (0.42) PARP1EIF2AK4HDAC1
Hydrochloric Acid SCHEMBL23459166 0.74 EIF2AK4 (0.41) PARP1EIF2AK4HDAC1
Hydrochloric Acid SCHEMBL23459167 0.74 EIF2AK4 (0.41) PARP1EIF2AK4HDAC1
SCHEMBL1471343 0.74 EIF2AK4 (0.52) EIF2AK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 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-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD TNKS 4084/4885PARP1 3689/4885PARP15 2960/4885

“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.