SCHEMBL4977345

SCHEMBL4977345

CCOC(=O)C(C#N)C1(C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
CTSK P43235 1/20 0.38
JAK2 O60674 5/20 0.37
JAK1 P23458 5/20 0.37
GPR119 Q8TDV5 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL346283 0.86 SMN1; SMN2 (0.38) SMN1; SMN2USP2CTSKJAK2JAK1
SCHEMBL18416945 0.84 USP2 (0.42) SMN1; SMN2USP2CTSKJAK2JAK1
SCHEMBL17176713 0.84 USP2 (0.42) SMN1; SMN2USP2CTSKJAK2JAK1
SCHEMBL346526 0.83 HTT (0.36) SMN1; SMN2USP2CTSKJAK2JAK1
SCHEMBL16553695 0.82 ALDH1A1 (0.40) SMN1; SMN2CTSKJAK1GPR119ALDH1A1
SCHEMBL14085878 0.81 ALDH1A1 (0.42) SMN1; SMN2CTSKJAK1GPR119ALDH1A1
SCHEMBL3530835 0.80 GPR119 (0.42) JAK2JAK1GPR119KMT2A
SCHEMBL4407528 0.80 TSHR (0.47) JAK2JAK1
SCHEMBL2636236 0.78 APP (0.46) JAK2JAK1
SCHEMBL16554255 0.78 MEN1 (0.44) SMN1; SMN2JAK2JAK1ALDH1A1MEN1

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 25 patents — showing the first 20. 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
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-10941150-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) 2021-03-09 US disclosed
US-10941150-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) 2021-03-09 US disclosed
CN-108137598-B Salt form and crystal form of 4H-pyrazolo [1, 5-alpha ] benzimidazole compound, and preparation method and intermediate thereof 湖北生物医药产业技术研究院有限公司 2021-02-12 CN 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
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
US-20180258093-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) 2018-09-13 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
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
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
EP-1761491-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 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 (5 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-20180258093-A1 SALT TYPE AND CRYSTAL TYPE OF 4H-PYRAZOLO [1, 5-ALPHA] BENZIMIDAZOLE COMPOUND AND PREPARATION METHOD AND INTERMEDIATE THEREOF REN, BRI3BP, SCN4A SMN1; SMN2 4312/4885USP2 4510/4885CTSK 2978/4885
US-10941150-B2 Salt type and crystal type of 4h-pyrazolo [1, 5-alpha] benzimidazole compound and preparation method and intermediate thereof BRI3BP, REN, SCN4A SMN1; SMN2 4149/4885USP2 4393/4885CTSK 3127/4885
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 SMN1; SMN2 3180/4885USP2 4160/4885CTSK 1764/4885
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 SMN1; SMN2 4361/4885USP2 4567/4885CTSK 2826/4885
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 SMN1; SMN2 4558/4885USP2 4378/4885CTSK 3694/4885

“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.