SCHEMBL175464

SCHEMBL175464

Nc1nc2ccccc2[nH]1.O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 16/20 0.82
IRAK1 P51617 3/20 0.82
MTOR P42345 1/20 0.82
DYRK3 O43781 1/20 0.60
ROCK2 O75116 1/20 0.60
RPS6KA5 O75582 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
CDK1 P06493 1/20 0.60
PHKG2 P15735 1/20 0.60
MARK3 P27448 1/20 0.60
CSNK1A1 P48729 1/20 0.60
CSNK1D P48730 1/20 0.60
CLK2 P49760 1/20 0.60
GSK3B P49841 1/20 0.60
NEK4 P51957 1/20 0.60
CSNK1G2 P78368 1/20 0.60
ITK Q08881 1/20 0.60
MAP4K2 Q12851 1/20 0.60
DYRK1A Q13627 1/20 0.60

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
SCHEMBL29363239 0.91 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL3600534 0.91 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL3604209 0.80 IRAK4 (0.79) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956628 0.78 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL16261073 0.77 MTOR (0.74) IRAK4IRAK1MTORKDM4ENPSR1
SCHEMBL29827291 0.77 IRAK4 (0.89) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956620 0.77 IRAK4 (0.89) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL25956637 0.76 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL18427725 0.76 IRAK4 (1.00) IRAK4IRAK1MTORDYRK3ROCK2
SCHEMBL13500540 0.76 OPRK1 (0.86) IRAK4IRAK1MTORKDM4ENPSR1

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 18 patents. 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
EP-4185279-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Secura Bio, Inc. (US) 2023-05-31 EP disclosed
CN-105682658-B Cancer therapy using PI3 kinase subtype modulators 无限药品公司 2022-04-05 CN disclosed
CN-105102000-B Cancer therapy using PI3 kinase subtype modulators 无限药品公司 2021-10-22 CN disclosed
EP-2914296-B2 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS INC (US) 2021-09-29 EP disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed
EP-3003309-B1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS INC (US) 2020-09-09 EP disclosed
EP-2914296-B1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS INC (US) 2018-05-30 EP disclosed
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2017-12-21 US disclosed
CN-105682658-A Treatment of cancers using pi3 kinase isoform modulators 无限药品公司 2016-06-15 CN disclosed
US-20160113932-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2016-04-28 US disclosed
US-20160024051-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME INFINITY PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-20150283142-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
EP-2424531-A2 IRAK KINASE FAMILY AS NOVEL TARGET AND BIOMARKER FOR ALZHEIMER PamGene B.V. (NL) 2012-03-07 EP disclosed
US-20120035076-A1 IRAK KINASE FAMILY AS NOVEL TARGET AND BIOMARKER FOR ALZHEIMER VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2012-02-09 US disclosed
WO-2010121834-A2 IRAK KINASE FAMILY AS NOVEL TARGET AND BIOMARKER FOR ALZHEIMER PAMGENE B.V. (NL) 2010-10-28 WO disclosed
EP-2243481-A1 Irak kinase family as novel drug target for Alzheimer PamGene B.V. (NL) 2010-10-27 EP 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 (6 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-20160113932-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, PIK3CG, PIK3CD IRAK4 495/4885IRAK1 361/4885MTOR 83/4885
US-20150283142-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB IRAK4 658/4885IRAK1 754/4885MTOR 280/4885
US-20170360795-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB IRAK4 658/4885IRAK1 754/4885MTOR 280/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB IRAK4 658/4885IRAK1 754/4885MTOR 280/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB IRAK4 658/4885IRAK1 754/4885MTOR 280/4885
US-20160024051-A1 SALTS AND SOLID FORMS OF ISOQUINOLINONES AND COMPOSITION COMPRISING AND METHODS OF USING THE SAME PIK3CA, PIK3CD, JAK2 IRAK4 527/4885IRAK1 460/4885MTOR 23/4885

“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.