SCHEMBL179304

SCHEMBL179304

Cc1nc(C(C)C)c2nc[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL17297733 0.81 HPGD (0.33) HPGDUSP2LMNAHSD17B10KDM4E
SCHEMBL12775188 0.80 CDK2 (0.37) HPGDUSP2LMNAHSD17B10KDM4E
SCHEMBL23762179 0.80 HPGD (0.35) HPGDUSP2LMNAHSD17B10KDM4E
SCHEMBL7019371 0.76 PDPK1 (0.36) HPGDHSD17B10KDM4EALDH1A1KMT2A
SCHEMBL4525056 0.76 PARP1 (0.33) HPGDUSP2LMNAHSD17B10KDM4E
Ammonia Solution, Strong SCHEMBL16871771 0.75 PDPK1 (0.35) HPGDHSD17B10KDM4EALDH1A1PDPK1
SCHEMBL756217 0.74 KDM4E (0.30) KDM4E
SCHEMBL1371017 0.73 PDPK1 (0.31) PDPK1
SCHEMBL9967827 0.73 FFAR2 (0.33) HPGDUSP2LMNAHSD17B10KDM4E
SCHEMBL21684954 0.73 CSNK2A1 (0.36) PDPK1

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 42 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-9944639-B2 Quinolizinone derivatives as PI3K inhibitors LUPIN LIMITED (IN) 2018-04-17 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-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-9765019-B2 Small-molecule-targeted protein degradation BRANDEIS UNIVERSITY (US) 2017-09-19 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-9655892-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-05-23 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (13 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD HPGD 2586/4885USP2 4480/4885LMNA 3431/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB HPGD 2421/4885USP2 2324/4885LMNA 1475/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA HPGD 3567/4885USP2 3041/4885LMNA 954/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A HPGD 3405/4885USP2 2774/4885LMNA 691/4885
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD HPGD 3556/4885USP2 3541/4885LMNA 3090/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB HPGD 2421/4885USP2 2324/4885LMNA 1475/4885
US-20180002335-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB HPGD 2431/4885USP2 1920/4885LMNA 2749/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A HPGD 3405/4885USP2 2774/4885LMNA 691/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB HPGD 2431/4885USP2 1920/4885LMNA 2749/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB HPGD 2431/4885USP2 1920/4885LMNA 2749/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB HPGD 2431/4885USP2 1920/4885LMNA 2749/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB HPGD 2421/4885USP2 2324/4885LMNA 1475/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD HPGD 2586/4885USP2 4480/4885LMNA 3431/4885

“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.