SCHEMBL2264171

SCHEMBL2264171

NC(=O)c1cc(F)cc2cn(CCNC(=O)O)nc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.47
BTK Q06187 1/20 0.36
CD38 P28907 1/20 0.35
PARP2 Q9UGN5 1/20 0.34
PARP14 Q460N5 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
SCHEMBL30157780 0.83 PARP1 (0.47) PARP1PARP2
SCHEMBL28619365 0.83 PARP1 (0.44) PARP1PARP2
Trifluoroacetic Acid SCHEMBL2265228 0.80 PARP1 (0.44) PARP1PARP2PARP14
Trifluoroacetic Acid SCHEMBL2266026 0.79 PARP1 (0.44) PARP1
SCHEMBL4768133 0.79 PARP1 (0.50) PARP1PARP2PARP14
Trifluoroacetic Acid SCHEMBL2266265 0.77 PARP1 (0.42) PARP1PARP2
Trifluoroacetic Acid SCHEMBL2264952 0.75 PARP1 (0.43) PARP1PARP2
Trifluoroacetic Acid SCHEMBL27738233 0.74 PARP1 (0.47) PARP1PARP2
Ammonia Solution, Strong SCHEMBL28920665 0.74 PARP1 (0.44) PARP1
SCHEMBL2266058 0.74 PARP1 (0.43) 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
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 EP disclosed
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 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 (2 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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 PARP1 1/4885BTK 1266/4885CD38 60/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885BTK 1266/4885CD38 60/4885

“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.