SCHEMBL1422149

SCHEMBL1422149

NC(=O)c1cc(F)cc2cn(-c3ccc(C4CCCN(OC(=O)C(F)(F)F)C4)cc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.50
PARP2 Q9UGN5 5/20 0.47
PARP3 Q9Y6F1 5/20 0.47
TNKS O95271 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
DYRK1A Q13627 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP12 Q9H0J9 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL1422172 0.89 PARP1 (0.61) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL4768326 0.85 PARP1 (0.51) PARP1PARP2PARP3
SCHEMBL2264051 0.84 PARP1 (0.51) PARP1PARP2PARP3TNKSCHRM2
Trifluoroacetic Acid SCHEMBL2261633 0.83 PARP1 (0.51) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL4764774 0.82 PARP1 (0.55) PARP1
SCHEMBL30158182 0.82 PARP1 (0.56) PARP1PARP2PARP3TNKSCHRM2
SCHEMBL2262723 0.80 PARP1 (0.42) PARP1PARP2
SCHEMBL2265824 0.80 PARP1 (0.74) PARP1
SCHEMBL28775649 0.80 PARP1 (0.66) PARP1
Trifluoroacetic Acid SCHEMBL1422148 0.79 PARP1 (0.68) PARP1PARP2PARP3TNKSCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536690-A1 AMIDE SUBSTITUTED INDAZOLES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD Italia S.r.l. (IT) 2019-09-11 EP disclosed
EP-2805945-B1 Amide substituted indazoles as poly(ADP-ribose)polymerase (PARP) inhibitors MSD ITALIA SRL (IT) 2019-04-03 EP disclosed
EP-2805945-A1 Amide substituted indazoles as poly(ADP-ribose)polymerase (PARP) inhibitors MSD Italia S.r.l. (IT) 2014-11-26 EP disclosed
US-8071623-B2 Anticancer, antiinflammatory, antitumor agents, diabetes, neurodegenerative diseases, retroviral infection, retinal damage or skin senescence and UV-induced skin damage; protecting against the toxicity of chemotherapy; 2-(4-Piperidin-3-ylphenyl)2H-indazole-7-carboxamide INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA 2011-12-06 US disclosed
EP-2336120-A1 Combinations containing amide substituted indazoles as poly(ADP-ribose)polymerase (PARP) inhibitors Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
EP-2109608-B1 AMIDE SUBSTITUTED INDAZOLES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2011-03-23 EP disclosed
EP-2109608-A1 AMIDE SUBSTITUTED INDAZOLES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-10-21 EP disclosed
WO-2008084261-A1 AMIDE SUBSTITUTED INDAZOLES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-07-17 WO disclosed
US-20080167345-A1 Anticancer, antiinflammatory, antitumor agents, diabetes, neurodegenerative diseases, retroviral infection, retinal damage or skin senescence and UV-induced skin damage; protecting against the toxicity of chemotherapy; 2-(4-Piperidin-3-ylphenyl)2H-indazole-7-carboxamide MERCK SHARP & DOHME LLC 2008-07-10 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-20080167345-A1 Anticancer, antiinflammatory, antitumor agents, diabetes, neurodegenerative diseases, retroviral infection, retinal damage or skin senescence and UV-induced skin damage; protecting against the toxicity of chemotherapy; 2-(4-Piperidin-3-ylphenyl)2H-indazole-7-carboxamide PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885PARP3 4/4885

“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.