SCHEMBL2739409

SCHEMBL2739409

NC1CCC(C(=O)Nc2ccncn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ADORA2B P29275 6/20 0.50
ACVRL1 P37023 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ADORA2A P29274 4/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
EPHX2 P34913 1/20 0.47
HPGD P15428 1/20 0.46
ABL1 P00519 1/20 0.45
ADORA1 P30542 3/20 0.45
ROCK2 O75116 2/20 0.45
RPS6KA5 O75582 2/20 0.45
ROCK1 Q13464 2/20 0.45
PKN2 Q16513 2/20 0.45
LRRK2 Q5S007 2/20 0.45
CHUK O15111 1/20 0.45
PRKD3 O94806 1/20 0.45
CDK1 P06493 1/20 0.45

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
SCHEMBL13194506 0.85 RXFP1 (0.52) RXFP1L3MBTL1ADORA2BACVRL1ALDH1A1
SCHEMBL2476559 0.84 RXFP1 (0.49) RXFP1L3MBTL1ADORA2BACVRL1ALDH1A1
SCHEMBL2476557 0.84 RXFP1 (0.49) RXFP1L3MBTL1ADORA2BACVRL1ALDH1A1
SCHEMBL1553555 0.80 ROCK2 (0.67) RXFP1L3MBTL1ACVRL1ALDH1A1CYP3A4
SCHEMBL9617879 0.80 ROCK2 (0.67) RXFP1L3MBTL1ACVRL1ALDH1A1CYP3A4
SCHEMBL1553557 0.80 ROCK2 (0.67) RXFP1L3MBTL1ACVRL1ALDH1A1CYP3A4
SCHEMBL14520680 0.78 MALT1 (0.52) ALDH1A1CYP3A4CYP2D6EPHX2ROCK2
SCHEMBL1290813 0.76 CDK9 (0.51) RXFP1L3MBTL1GSK3B
SCHEMBL11002789 0.75 ACVRL1 (0.56) ACVRL1GSK3B
SCHEMBL4710625 0.74 HPGD (0.47) ACVRL1ALDH1A1ADORA2AHPGDADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-8088774-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2012-01-03 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
US-7888357-B2 Anti-inflammatory and protein kinase inhibitor compositions and related methods for downregulation of detrimental cellular responses and inhibition of cell death NORTHWESTERN UNIVERSITY (US) 2011-02-15 US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 US disclosed
US-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-12-16 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-20100317665-A1 Anti-Inflammatory And Protein Kinase Inhibitor Compositions And Related Methods For Downregulation Of Detrimental Cellular Responses And Inhibition Of Cell Death CASP2, CASP1, DAPK2 RXFP1 4125/4885L3MBTL1 1685/4885ADORA2B 3364/4885

“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.