SCHEMBL2267025

SCHEMBL2267025

NC(=O)c1cccc2cn(-c3ccc(Br)cc3)nc12

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.77
PARP2 Q9UGN5 13/20 0.77
PARP3 Q9Y6F1 13/20 0.77
HDAC3 O15379 1/20 0.60
KDR P35968 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60

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
SCHEMBL2264036 0.87 PARP1 (0.79) PARP1PARP2PARP3HDAC3KDR
SCHEMBL1422404 0.87 PARP1 (1.00) PARP1PARP2PARP3
SCHEMBL23598274 0.86 PARP1 (0.77) PARP1PARP2PARP3
SCHEMBL2264064 0.86 PARP1 (1.00) PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL2263931 0.86 PARP1 (0.77) PARP1PARP2PARP3HDAC3KDR
SCHEMBL2263821 0.85 PARP1 (0.80) PARP1PARP2PARP3HDAC3KDR
SCHEMBL30157404 0.85 PARP1 (0.76) PARP1PARP2PARP3HDAC3KDR
Hydrochloric Acid SCHEMBL27738209 0.84 PARP1 (0.94) PARP1PARP2PARP3
SCHEMBL2261900 0.84 PARP1 (0.73) PARP1PARP2PARP3HDAC3KDR
Hydrochloric Acid SCHEMBL2265748 0.84 PARP1 (0.74) PARP1PARP2PARP3HDAC3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113288892-B Use of poly ADP-ribose polymerase inhibitors against coronaviruses 甫康(上海)健康科技有限责任公司 2024-04-26 CN disclosed
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
CN-101415686-B Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO 2013-03-13 CN 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
CN-101415686-A Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2009-04-22 CN disclosed
EP-2007733-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-12-31 EP disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 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 (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 1/4885PARP2 3/4885PARP3 2/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 PARP1 1/4885PARP2 3/4885PARP3 2/4885

“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.