SCHEMBL179478

SCHEMBL179478

CC[C@H](Nc1nc(N)ncc1C(N)=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
SYK P43405 6/20 0.41
MAPK8 P45983 8/20 0.40
MAPK9 P45984 2/20 0.38
NNMT P40261 2/20 0.38
NUDT1 P36639 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL179508 1.00 KDM4E (0.43) KDM4ESYKMAPK8MAPK9NNMT
SCHEMBL179479 1.00 KDM4E (0.43) KDM4ESYKMAPK8MAPK9NNMT
SCHEMBL179473 0.87 SYK (0.45) SYKMAPK8MAPK9NNMTJAK2
SCHEMBL179453 0.87 SYK (0.45) SYKMAPK8MAPK9NNMTJAK2
SCHEMBL179436 0.87 SYK (0.45) SYKMAPK8MAPK9NNMTJAK2
SCHEMBL17483534 0.86 SYK (0.40) SYKMAPK8MAPK9NNMTJAK2
SCHEMBL17483533 0.86 SYK (0.40) SYKMAPK8MAPK9NNMTJAK2
SCHEMBL9883975 0.85 SYK (0.47) SYKMAPK8MAPK9NNMTJAK2
SCHEMBL9883976 0.85 SYK (0.47) SYKMAPK8MAPK9NNMTJAK2
SCHEMBL9883977 0.85 SYK (0.47) SYKMAPK8MAPK9NNMTJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-20180002335-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-04 US disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-8569323-B2 Substituted isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE, LLC (US) 2013-10-29 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 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 (12 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-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 KDM4E 3950/4885SYK 444/4885MAPK8 182/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB KDM4E 4349/4885SYK 292/4885MAPK8 210/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA KDM4E 2229/4885SYK 533/4885MAPK8 173/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KDM4E 4500/4885SYK 475/4885MAPK8 371/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA KDM4E 2229/4885SYK 533/4885MAPK8 173/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB KDM4E 4349/4885SYK 292/4885MAPK8 210/4885
US-20180002335-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KDM4E 1566/4885SYK 736/4885MAPK8 897/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A KDM4E 4500/4885SYK 475/4885MAPK8 371/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KDM4E 1566/4885SYK 736/4885MAPK8 897/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KDM4E 1566/4885SYK 736/4885MAPK8 897/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KDM4E 1566/4885SYK 736/4885MAPK8 897/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB KDM4E 4349/4885SYK 292/4885MAPK8 210/4885

“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.