SCHEMBL2191982

SCHEMBL2191982

Cc1nc2c([nH]1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
C5AR1 P21730 1/20 0.38
NR1H2 P55055 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 2/20 0.36
MAPK1 P28482 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
MAPT P10636 1/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ACACB O00763 3/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL17380078 0.82 DDB1 (0.36) DDB1CRBNC5AR1NR1H2USP2
SCHEMBL3623314 0.82 DPP4 (0.37) DDB1CRBNC5AR1NR1H2USP2
SCHEMBL17380325 0.82 PARP1 (0.42) DDB1CRBNNR1H2USP2SMN1; SMN2
SCHEMBL13250471 0.82 C5AR1 (0.42) DDB1CRBNC5AR1NR1H2PARP1
SCHEMBL17380077 0.81 GPR119 (0.36) DDB1CRBNNR1H2USP2SMN1; SMN2
SCHEMBL17380144 0.81 DDB1 (0.42) DDB1CRBNPARP1MAPK1TNKS2
SCHEMBL17380695 0.81 NR1H2 (0.41) DDB1CRBNC5AR1NR1H2USP2
SCHEMBL17380327 0.81 GPR119 (0.39) DDB1CRBNC5AR1NR1H2USP2
SCHEMBL17380306 0.80 ADORA1 (0.41) DDB1CRBNC5AR1SMN1; SMN2MAPT
SCHEMBL17380690 0.80 DDB1 (0.39) DDB1CRBNC5AR1NR1H2USP2

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
US-11225479-B2 Bicyclic inhibitors of histone deacetylase ALKERMES, INC. (US) 2022-01-18 US disclosed
US-20210122748-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-04-29 US disclosed
US-10793567-B2 Bicyclic inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
WO-2018132533-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2018-07-19 WO disclosed
CN-105531277-B Pyrrolo-imidazole ring derivatives and their use in medicine 四川海思科制药有限公司 2018-03-02 CN disclosed
CN-105531277-A Pyrrolo-imidazole ring derivatives and their use in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-04-27 CN disclosed
WO-2015192714-A1 PYRROLOIMIDAZOLE RING DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2015-12-23 WO disclosed
US-8637491-B2 Thieno-pyridine derivatives as MEK inhibitors UCB PHARMA S.A. (BE) 2014-01-28 US disclosed
US-20110172191-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2011-07-14 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 (4 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-20110172191-A1 THIENO-PYRIDINE DERIVATIVES AS MEK INHIBITORS MAP2K2, MAP2K1, MAP2K3 DDB1 1176/4885CRBN 1383/4885C5AR1 2613/4885
US-20210122748-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC3 DDB1 1903/4885CRBN 1056/4885C5AR1 4682/4885
US-10793567-B2 Bicyclic inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 DDB1 2017/4885CRBN 1536/4885C5AR1 4626/4885
US-11225479-B2 Bicyclic inhibitors of histone deacetylase HDAC2, HDAC1, HDAC3 DDB1 1903/4885CRBN 1056/4885C5AR1 4682/4885

“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.