SCHEMBL97146

SCHEMBL97146

COc1[c]cc(NC(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MB P02144 1/20 0.46
CYP1A1 P04798 1/20 0.46
CA3 P07451 1/20 0.46
CYP3A4 P08684 1/20 0.46
RARG P13631 1/20 0.46
TSHR P16473 1/20 0.46
ALOX5AP P20292 1/20 0.46

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
SCHEMBL5673568 0.81 TDP1 (0.58) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL18605563 0.80 SMN1; SMN2 (0.44) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL7521896 0.77 ALDH1A1 (0.42) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL973371 0.76 KMT2A (0.55) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL1740872 0.76 TDP1 (0.55) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL2683899 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL27544478 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL95120 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL3064656 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL1743263 0.74 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTTSHRMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US claimed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US claimed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 EP claimed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US claimed
WO-2017046117-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE ABBVIE INC. (US) 2017-03-23 WO claimed
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-16 US claimed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US claimed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US claimed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US claimed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 EP disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-0028351-B1 REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS CONTAINING OH OR NH BAYER AG (DE) 1984-02-22 EP disclosed
US-4379934-A Process for two-dimensionally concentrating light, and novel perylene-3,4,9,10-tetracarboxylic acid diimides BASF AKTIENGESELLSCHAFT (DE) 1983-04-12 US disclosed
EP-0033079-A1 Perylene-3,4,9,10-tetracarboxylic-acid diimides and their use BASF Aktiengesellschaft (DE) 1981-08-05 EP disclosed
EP-0028351-A2 Reactive dyestuffs and their use in dyeing materials containing OH or NH BAYER AG (DE) 1981-05-13 EP disclosed
US-4230484-A ETHYL 4'-TRIFLUOROMETHYL OXANILATE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-10-28 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 (7 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-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use GABRB1, GABBR1, GABBR2 SMN1; SMN2 2210/4885HTT 3687/4885L3MBTL1 4293/4885
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885HTT 3990/4885L3MBTL1 1658/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885HTT 3990/4885L3MBTL1 1658/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885HTT 3990/4885L3MBTL1 1658/4885
US-20170073353-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE GABRB1, GABBR1, GABBR2 SMN1; SMN2 2210/4885HTT 3687/4885L3MBTL1 4293/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885HTT 3990/4885L3MBTL1 1658/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 SMN1; SMN2 1363/4885HTT 3990/4885L3MBTL1 1658/4885

“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.