Sugi Predict

Sugi Predict / Compounds / SCHEMBL1782598

SCHEMBL1782598

SCHEMBL1782598

COc1cc(OC2CCN(C)C2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ PDE3B Q13370 2/20 0.47
▸ PDE3A Q14432 2/20 0.47
▸ PDE10A Q9Y233 2/20 0.47
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.44
▸ HTR2C P28335 2/20 0.44
▸ HTR2B P41595 2/20 0.44
▸ CHEK1 O14757 2/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ PIK3CD O00329 2/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ ACVR1 Q04771 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ CCR3 P51677 1/20 0.42

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
SCHEMBL1912083 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4PDE3BPDE3APDE10A
SCHEMBL10208091 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4PDE3BPDE3APDE10A
Aniline SCHEMBL3546666 0.94 ALDH1A1 (0.44) ALDH1A1CYP3A4PDE3BPDE3APDE10A
SCHEMBL29446161 0.93 HRH3 (0.52) ALDH1A1CYP3A4PDE3BPDE3APDE10A
SCHEMBL375544 0.93 HRH3 (0.52) ALDH1A1CYP3A4PDE3BPDE3APDE10A
SCHEMBL1911957 0.85 HTR2C (0.42) PDE3BPDE3APDE10AMAOAMAOB
SCHEMBL1911981 0.85 KDM4E (0.45) ALDH1A1PDE3BPDE3APDE10AMAOA
SCHEMBL1911953 0.85 KDM4E (0.45) ALDH1A1PDE3BPDE3APDE10AMAOA
SCHEMBL1912038 0.85 KDM4E (0.45) ALDH1A1PDE3BPDE3APDE10AMAOA
SCHEMBL1912099 0.85 HTR2C (0.42) PDE3BPDE3APDE10AMAOAMAOB

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-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 — — US disclosed
EP-3129374-B1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2018-12-19 — — EP disclosed
US-9856258-B2 (5,6-dihydro)pyrimido[4,5-E]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2018-01-02 — — US disclosed
US-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2017-04-06 — — US disclosed
EP-3129374-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES Netherlands Translational Research Center B.V. (NL) 2017-02-15 — — EP disclosed
EP-2961750-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D]PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS Amgen Inc. (US) 2016-01-06 — — EP disclosed
WO-2015155042-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2015-10-15 — — WO disclosed
WO-2014134308-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS AMGEN INC. (US) 2014-09-04 — — WO disclosed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 — — US disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 — — WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 — — WO disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 — — US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 — — US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 — — US disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 — — US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ALDH1A1 2972/4885CYP3A4 4875/4885PDE3B 4630/4885
US-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES DHFR, CYP2D6, DPYD ALDH1A1 111/4885CYP3A4 23/4885PDE3B 1322/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ALDH1A1 422/4885CYP3A4 71/4885PDE3B 99/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885CYP3A4 49/4885PDE3B 361/4885

“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.