SCHEMBL17176604

SCHEMBL17176604

NNc1c(Br)cc(F)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 4/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
Hydrochloric Acid SCHEMBL18422032 0.97 GAA (0.53) GAAMAPTKMT2AALDH1A1CA12
SCHEMBL31322749 0.84 GAA (0.47) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL10991781 0.78 CYP3A4 (0.41) GAAMAPTKMT2AHTTTDP1
Bromide SCHEMBL20984539 0.76 CYP3A4 (0.39) GAAMAPTKMT2AHTTTDP1
Hydrochloric Acid SCHEMBL20984266 0.76 CYP3A4 (0.39) GAAMAPTKMT2AHTTTDP1
SCHEMBL18421429 0.74 TSHR (0.35) GAA
SCHEMBL1117704 0.74 GAA (0.45) GAAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL10616863 0.73 NOTUM (0.34) GAAMAPTKMT2AALDH1A1CA12
SCHEMBL29866474 0.73 GAA (0.41) GAAMAPTKMT2ACA1CA2
SCHEMBL25573050 0.73 GAA (0.41) GAAMAPTKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357925-B1 SALT TYPE AND CRYSTAL TYPE OF 4H-PYRAZOLO [1, 5-ALPHA]BENZIMIDAZOLE COMPOUND AND PREPARATION METHOD AND INTERMEDIATE THEREOF HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2021-10-27 EP disclosed
US-10428073-B2 Salt type and crystal type of 4H-pyrazolo [1, 5-alpha] benzimidazole compound and preparation method and intermediate thereof HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2019-10-01 US disclosed
EP-3130592-B1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2019-08-14 EP disclosed
EP-3130592-B1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2019-08-14 EP disclosed
CN-106459057-B Analogs of 4H-pyrazolo [1,5- α ] benzimidazole compounds as PARP inhibitors 湖北生物医药产业技术研究院有限公司 2019-06-07 CN disclosed
EP-3357925-A1 SALT TYPE AND CRYSTAL TYPE OF 4H-PYRAZOLO [1, 5-ALPHA]BENZIMIDAZOLE COMPOUND AND PREPARATION METHOD AND INTERMEDIATE THEREOF Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2018-08-08 EP disclosed
US-9856262-B2 Analogues of 4H-pyrazolo[1,5-a] benzimidazole compound as PARP inhibitors HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2018-01-02 US disclosed
US-9856262-B2 Analogues of 4H-pyrazolo[1,5-a] benzimidazole compound as PARP inhibitors HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2018-01-02 US disclosed
EP-3130592-A1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-02-15 EP disclosed
EP-3130592-A1 ANALOGUES OF 4H-PYRAZOLO[1,5- ]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-02-15 EP disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 US disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 US disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 US disclosed
WO-2015154630-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-Α]BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS 南京明德新药研发股份有限公司 2015-10-15 WO disclosed
CN-104974161-A 4H-pyrazolo[1,5-[alpha]]benzimidazole compound analogue as PARP inhibitor NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-10-14 CN 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-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 GAA 2421/4885MAPT 2532/4885KMT2A 469/4885
US-10428073-B2 Salt type and crystal type of 4H-pyrazolo [1, 5-alpha] benzimidazole compound and preparation method and intermediate thereof REN, BRI3BP, KCNJ11 GAA 2904/4885MAPT 2501/4885KMT2A 1331/4885

“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.