SCHEMBL5720840

SCHEMBL5720840

CC(C)(C)OC(=O)N1Cc2n[nH]c(I)c2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
C5AR1 P21730 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
MAPK1 P28482 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MKNK1 Q9BUB5 3/20 0.36
ESR2 Q92731 1/20 0.35
ADORA1 P30542 1/20 0.34

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
SCHEMBL30090465 0.85 NR1H2 (0.40) NR1H2C5AR1USP2SMN1; SMN2DDB1
SCHEMBL3480008 0.84 NR1H2 (0.40) NR1H2C5AR1USP2SMN1; SMN2DDB1
SCHEMBL30707227 0.83 NR1H2 (0.39) NR1H2C5AR1USP2SMN1; SMN2DDB1
SCHEMBL29723403 0.82 NR1H2 (0.38) NR1H2C5AR1USP2SMN1; SMN2DDB1
SCHEMBL30707378 0.82 NR1H2 (0.38) NR1H2C5AR1USP2SMN1; SMN2DDB1
SCHEMBL29723289 0.81 C5AR1 (0.38) NR1H2C5AR1USP2SMN1; SMN2DDB1
SCHEMBL5720821 0.80 CKS1B (0.42) C5AR1DDB1CRBNMAPK1PARP1
SCHEMBL5720844 0.78 NR1H2 (0.40) NR1H2USP2SMN1; SMN2DDB1CRBN
SCHEMBL6439338 0.78 HTT (0.51) C5AR1SMN1; SMN2
SCHEMBL28970100 0.77 NR1H2 (0.37) NR1H2USP2SMN1; SMN2DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621230-B Nitrogen-containing heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-06-16 CN disclosed
CN-115806561-A JAK3 selective inhibitors and uses thereof 南京药石科技股份有限公司 2023-03-17 CN disclosed
CN-114621230-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-06-14 CN disclosed
US-10155775-B2 Substituted amino six-membered saturated heteroalicycles as long-acting DPP-IV inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-12-18 US disclosed
US-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-04-26 US disclosed
US-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-04-26 US disclosed
US-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-04-26 US disclosed
EP-3257857-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR Centaurus BioPharma Co., Ltd. (CN) 2017-12-20 EP disclosed
EP-3257857-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR Centaurus BioPharma Co., Ltd. (CN) 2017-12-20 EP disclosed
WO-2016127916-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR 北京赛林泰医药技术有限公司 2016-08-18 WO disclosed
US-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-06-22 US disclosed
EP-1527074-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2005-05-04 EP disclosed
WO-2004013144-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2004-02-12 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 (3 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-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS DPP4, DPP7, DPP9 NR1H2 3612/4885C5AR1 3153/4885USP2 1692/4885
US-20060135508-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K15, MAP3K5, MAP3K19 NR1H2 4654/4885C5AR1 3538/4885USP2 2867/4885
US-10155775-B2 Substituted amino six-membered saturated heteroalicycles as long-acting DPP-IV inhibitors DPP4, DPP7, DPP9 NR1H2 3612/4885C5AR1 3153/4885USP2 1692/4885

“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.