SCHEMBL657826

SCHEMBL657826

Cc1onc(-c2ccccc2)c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.63
PTGS2 P35354 8/20 0.63
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
BRD4 O60885 2/20 0.50
CA12 O43570 1/20 0.50
MT-CO2 P00403 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
CA3 P07451 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
ADRA2B P18089 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50

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
SCHEMBL13170545 0.81 RAB9A (0.48) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL5154094 0.79 TDO2 (0.50) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL2205047 0.79 PTGS1 (0.68) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL9878955 0.78 PTGS1 (0.66) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL2277199 0.78 PTGS2 (1.00) PTGS1PTGS2KMT2ABRD4CA12
SCHEMBL14562098 0.77 PTGS2 (0.80) PTGS1PTGS2BRD4CA12MT-CO2
SCHEMBL5428698 0.77 PTGS2 (0.80) PTGS1PTGS2BRD4CA12MT-CO2
SCHEMBL989981 0.76 PTGS1 (0.63) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL3952331 0.76 PTGS1 (0.63) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL11483660 0.76 BRD4 (0.56) PTGS1PTGS2KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-01-24 US disclosed
EP-3823726-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY F. Hoffmann-La Roche SA (CH) 2021-05-26 EP disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
CN-112437683-A Sulfonylurea compounds useful as inhibitors of interleukin-1 activity 豪夫迈·罗氏有限公司 2021-03-02 CN disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
WO-2020018970-A1 SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY GENENTECH, INC. (US) 2020-01-23 WO disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
CN-1625400-A 2, 4-pyrimidinediamine compounds and uses thereof RIGEL PHARMACEUTICALS INC (US) 2005-06-08 CN disclosed
US-20050113412-A1 Quinoline compounds and their uses MIDCAP FINANCIAL TRUST 2005-05-26 US disclosed
WO-2005033103-A1 QUINOLINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2005-04-14 WO disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 WO disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2004080976-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2004-09-23 WO disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO 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 (11 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-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT PTGS1 101/4885PTGS2 133/4885KMT2A 1886/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PTGS1 473/4885PTGS2 266/4885KMT2A 2984/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS1 473/4885PTGS2 266/4885KMT2A 2984/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS1 473/4885PTGS2 266/4885KMT2A 2984/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A PTGS1 399/4885PTGS2 169/4885KMT2A 2086/4885
US-20050113412-A1 Quinoline compounds and their uses MRGPRX1, MRGPRX2, HRH4 PTGS1 154/4885PTGS2 142/4885KMT2A 2643/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A PTGS1 102/4885PTGS2 120/4885KMT2A 4638/4885
US-11560391-B2 Sulfonylurea compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 PTGS1 443/4885PTGS2 1973/4885KMT2A 4444/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS1 473/4885PTGS2 266/4885KMT2A 2984/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS1 473/4885PTGS2 266/4885KMT2A 2984/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PTGS1 1996/4885PTGS2 1885/4885KMT2A 929/4885

“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.