Sugi Predict

Sugi Predict / Compounds / SCHEMBL359029

SCHEMBL359029

SCHEMBL359029

COc1cc(C(=O)Nc2ccccc2)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ ALDH1A1 P00352 4/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ PDE4A P27815 1/20 0.60
▸ PDE4B Q07343 1/20 0.60
▸ PDE4C Q08493 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ PKM P14618 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ CASP3 P42574 2/20 0.56

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
SCHEMBL5148402 0.88 MEN1 (0.60) MEN1KMT2AALDH1A1TDP1NPC1
SCHEMBL29440797 0.88 MEN1 (0.72) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL610530 0.88 MEN1 (0.72) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL11315443 0.87 NPC1 (0.60) MEN1KMT2AALDH1A1TSHRNPC1
SCHEMBL13175829 0.87 NPC1 (0.67) MEN1KMT2AALDH1A1CYP3A4NPC1
SCHEMBL4141962 0.86 MEN1 (0.89) MEN1KMT2AALDH1A1CYP3A4TSHR
Nitrogen SCHEMBL28359211 0.86 MEN1 (0.69) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL18993437 0.86 MEN1 (0.54) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL13175761 0.86 KMT2A (0.77) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5473499 0.85 KCNK9 (0.60) MEN1KMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 — — US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 — — EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 — — US disclosed
CN-105367577-A Pyrazolo[1,5A]Pyrimidine Derivatives As Irak4 Modulators HOFFMANN LA ROCHE 2016-03-02 — — CN disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 — — US disclosed
CN-102985426-B Pyrazolo [1,5A ] pyrimidine and thieno [3,2B ] pyrimidine derivatives as IRAK4 modulators F. HOFFMANN-LA ROCHE AG (CH) 2015-10-07 — — CN disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 — — US disclosed
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 disclosed
EP-1983987-B1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-09-01 — — EP disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 — — US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 — — WO disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 — — EP disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 — — WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 — — US disclosed
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 — — WO disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 — — US disclosed
US-4031073-A Monoazo pigments containing barbituric acid or thio- or imino-derivatives thereof CIBA-GEIGY CORPORATION (US) 1977-06-21 — — 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 (5 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MEN1 3338/4885KMT2A 597/4885ALDH1A1 2519/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 MEN1 3338/4885KMT2A 597/4885ALDH1A1 2519/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 MEN1 3338/4885KMT2A 597/4885ALDH1A1 2519/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 MEN1 1408/4885KMT2A 4680/4885ALDH1A1 422/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 MEN1 3338/4885KMT2A 597/4885ALDH1A1 2519/4885

“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.