SCHEMBL9925920

SCHEMBL9925920

CC(C)[C@@H](C)Nc1nc(N)nc2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 2/20 0.35
CDK1 P06493 6/20 0.34
CCNB1 P14635 5/20 0.34
CCNA2 P20248 5/20 0.34
CDK2 P24941 5/20 0.34
CCNA1 P78396 5/20 0.34
APP P05067 1/20 0.33
BRAF P15056 3/20 0.32
CYP1A2 P05177 1/20 0.32
PDPK1 O15530 1/20 0.31
GDA Q9Y2T3 1/20 0.31
IDH1 O75874 1/20 0.31
CHUK O15111 1/20 0.31
MAP3K5 Q99683 1/20 0.30

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
SCHEMBL9925918 1.00 TLR8 (0.35) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL9925921 1.00 TLR8 (0.35) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL9924587 0.88 TLR8 (0.35) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL9168808 0.87 APP (0.44) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL19726870 0.85 TLR8 (0.33) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL20725862 0.85 TLR8 (0.33) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL179364 0.85 TLR8 (0.33) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL179360 0.85 TLR8 (0.33) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL179343 0.85 TLR8 (0.33) TLR8TLR7CDK1CCNB1CCNA2
SCHEMBL179392 0.84 TLR8 (0.35) TLR8TLR7CDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9527847-B2 Treatment of lupus, fibrotic conditions, and inflammatory myopathies and other disorders using PI3 kinase inhibitors INFINITY PHARMACEUTICALS, INC. (US) 2016-12-27 US disclosed
US-20160158239-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-09 US disclosed
US-20160113932-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2016-04-28 US disclosed
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-9216982-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2015-12-22 US disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20150283142-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-20140377258-A1 Treatment Of Cancers Using PI3 Kinase Isoform Modulators INFINITY PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-20140341894-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2014-11-20 US disclosed
US-20140343057-A1 TREATMENT OF LUPUS, FIBROTIC CONDITIONS, AND INFLAMMATORY MYOPATHIES AND OTHER DISORDERS USING PI3 KINASE INHIBITORS INFINITY PHARMACEUTICALS, INC. 2014-11-20 US disclosed
US-8828998-B2 Treatment of lupus, fibrotic conditions, and inflammatory myopathies and other disorders using PI3 kinase inhibitors INFINITY PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20140120083-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2014-05-01 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-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 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-20140377258-A1 Treatment Of Cancers Using PI3 Kinase Isoform Modulators PIK3CA, MCL1, PIK3CB TLR8 4679/4885TLR7 4114/4885CDK1 88/4885
US-20140343057-A1 TREATMENT OF LUPUS, FIBROTIC CONDITIONS, AND INFLAMMATORY MYOPATHIES AND OTHER DISORDERS USING PI3 KINASE INHIBITORS MYLK2, SSB, MYLK TLR8 605/4885TLR7 424/4885CDK1 234/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA TLR8 4218/4885TLR7 4273/4885CDK1 69/4885
US-20160113932-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, PIK3CG, PIK3CD TLR8 4301/4885TLR7 3414/4885CDK1 298/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A TLR8 4565/4885TLR7 4345/4885CDK1 110/4885
US-20140341894-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A TLR8 4565/4885TLR7 4345/4885CDK1 110/4885
US-20150283142-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB TLR8 4679/4885TLR7 4114/4885CDK1 88/4885
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA TLR8 4218/4885TLR7 4273/4885CDK1 69/4885
US-20160158239-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A TLR8 4565/4885TLR7 4345/4885CDK1 110/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB TLR8 4679/4885TLR7 4114/4885CDK1 88/4885
US-20140120083-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB TLR8 4679/4885TLR7 4114/4885CDK1 88/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB TLR8 3751/4885TLR7 3302/4885CDK1 221/4885

“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.