SCHEMBL4569771

SCHEMBL4569771

CCc1cn(C(=O)OC(C)(C)C)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ELANE P08246 13/20 0.47
DTYMK P23919 1/20 0.42
BRD4 O60885 1/20 0.41
POLB P06746 1/20 0.41
HTR6 P50406 1/20 0.40
EPHX1 P07099 1/20 0.39

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
SCHEMBL3705482 0.92 L3MBTL1 (0.47) L3MBTL1ELANEDTYMKBRD4POLB
SCHEMBL30940044 0.92 L3MBTL1 (0.47) L3MBTL1ELANEDTYMKBRD4POLB
SCHEMBL1267232 0.90 ELANE (0.46) L3MBTL1ELANEDTYMKBRD4POLB
SCHEMBL30458558 0.90 ELANE (0.46) L3MBTL1ELANEDTYMKBRD4POLB
SCHEMBL4572234 0.90 L3MBTL1 (0.46) L3MBTL1ELANEDTYMKBRD4POLB
SCHEMBL3762275 0.87 ELANE (0.47) L3MBTL1ELANEDTYMKBRD4POLB
SCHEMBL4192135 0.86 L3MBTL1 (0.54) L3MBTL1ELANEDTYMKBRD4POLB
SCHEMBL3757166 0.85 ELANE (0.43) L3MBTL1ELANEDTYMKBRD4POLB
SCHEMBL13425915 0.83 ELANE (0.47) L3MBTL1ELANEDTYMKPOLB
SCHEMBL31219308 0.83 ELANE (0.47) L3MBTL1ELANEDTYMKPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC L3MBTL1 3144/4885ELANE 1026/4885DTYMK 3703/4885
US-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 L3MBTL1 3966/4885ELANE 1325/4885DTYMK 4288/4885
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 L3MBTL1 4116/4885ELANE 2008/4885DTYMK 2355/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC L3MBTL1 2922/4885ELANE 1125/4885DTYMK 3891/4885

“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.