SCHEMBL1848016

SCHEMBL1848016

CN[C@H]1CN(C(=O)CC#N)CC[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.48
JAK1 P23458 12/20 0.48
JAK2 O60674 14/20 0.46
ROCK1 Q13464 3/20 0.46
PKN2 Q16513 3/20 0.46
LRRK2 Q5S007 3/20 0.46
LCK P06239 2/20 0.46
RET P07949 2/20 0.46
KDR P35968 2/20 0.46
CAMK1D Q8IU85 2/20 0.46
PRKACA P17612 1/20 0.46
LTK P29376 1/20 0.46
GSK3A P49840 1/20 0.46
PRKX P51817 1/20 0.46
TYK2 P29597 4/20 0.43
ROCK2 O75116 2/20 0.43
MARK3 P27448 2/20 0.43
PRKCD Q05655 2/20 0.43
STK3 Q13188 2/20 0.43
CAMK2D Q13557 2/20 0.43

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
SCHEMBL3685041 1.00 JAK3 (0.48) JAK3JAK1JAK2ROCK1PKN2
Hydrochloric Acid SCHEMBL1847847 0.99 JAK3 (0.47) JAK3JAK1JAK2ROCK1PKN2
SCHEMBL13505197 0.86 JAK3 (0.48) JAK3JAK1JAK2ROCK1PKN2
SCHEMBL10099386 0.83 JAK3 (0.45) JAK3JAK1JAK2ROCK1PKN2
SCHEMBL9921661 0.83 JAK3 (0.45) JAK3JAK1JAK2ROCK1PKN2
SCHEMBL9918621 0.83 JAK3 (0.45) JAK3JAK1JAK2ROCK1PKN2
SCHEMBL16731051 0.82 JAK3 (0.35) JAK3JAK1JAK2ROCK1PKN2
SCHEMBL26545652 0.82 JAK3 (0.35) JAK3JAK1JAK2ROCK1PKN2
SCHEMBL15198111 0.80 CTSK (0.47) JAK3JAK1JAK2ROCK1PKN2
SCHEMBL26286124 0.80 JAK2 (0.41) JAK3JAK1JAK2ROCK1PKN2

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802274-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2023-10-31 US disclosed
US-11802274-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2023-10-31 US disclosed
US-20230295673-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-09-21 US disclosed
US-20230295673-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-09-21 US disclosed
US-11377673-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2022-07-05 US disclosed
US-11352609-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2022-06-07 US disclosed
US-20210301266-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-09-30 US disclosed
US-11060072-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2021-07-13 US disclosed
US-10947572-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2021-03-16 US disclosed
US-20210054422-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-02-25 US disclosed
US-20150132807-A1 ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-05-14 US disclosed
US-20130302859-A1 Engineered imine reductases and methods for the reductive animation of ketone and amine compounds. CODEXIS,INC. (US) 2013-11-14 US disclosed
US-20130302859-A1 Engineered imine reductases and methods for the reductive animation of ketone and amine compounds. CODEXIS,INC. (US) 2013-11-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
EP-2324020-A2 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-05-25 EP disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 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 (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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885JAK2 2/4885
US-11352609-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds AKR1C4, AKR7A2, AKR1C2 JAK3 4681/4885JAK1 4719/4885JAK2 4727/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 JAK3 3/4885JAK1 2/4885JAK2 1/4885
US-11802274-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds AKR1C4, AKR7A2, AKR1C2 JAK3 4681/4885JAK1 4719/4885JAK2 4727/4885

“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.