Sugi Predict

Sugi Predict / Compounds / SCHEMBL418501

SCHEMBL418501

SCHEMBL418501

c1cnc(Nc2ccc[nH]2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ ADRA2A P08913 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ ADRA1D P25100 2/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ ADRA1B P35368 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ ACHE P22303 4/20 0.34
▸ KDR P35968 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ CYP2C19 P33261 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ THRB P10828 1/20 0.32

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
SCHEMBL3194321 0.78 DAO (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2012149 0.78 MEN1 (0.53) ADRA2AADRA2CALDH1A1KDRMEN1
SCHEMBL17713794 0.77 ADRA2A (0.56) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL14869511 0.74 LMNA (0.47) NUDT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14869521 0.74 NPC1 (0.40) ALDH1A1KMT2ANPC1RAB9AMAPT
SCHEMBL27656797 0.71 TDP1 (0.52) ALDH1A1KDRMEN1KMT2ASMN1; SMN2
SCHEMBL14869614 0.70 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2THRBMAPK1
SCHEMBL5888722 0.70 SOD1 (0.47) ALDH1A1ACHEKDRCYP2C19CYP1A2
SCHEMBL2174053 0.69 ALDH1A1 (0.53) ALDH1A1ACHEKDRMEN1KMT2A
SCHEMBL27676718 0.69 NR4A2 (0.51) AXLNUDT1ADRA2AADRA2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114790208-B IRAK4 kinase inhibitor and preparation method thereof 珠海宇繁生物科技有限责任公司 2024-06-07 — — CN disclosed
CN-117164592-A Pyrrolo-aminopyrimidine compounds, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2023-12-05 — — CN disclosed
CN-117164592-A Pyrrolo-aminopyrimidine compounds, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2023-12-05 — — CN disclosed
CN-114790208-A IRAK 4kinase inhibitor and preparation method thereof 珠海宇繁生物科技有限责任公司 2022-07-26 — — CN disclosed
EP-4006028-A1 IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR Zhuhai Yufan Biotechnologies Co., Ltd (CN) 2022-06-01 — — EP disclosed
CN-112300180-B IRAK4 kinase inhibitor and preparation method thereof 珠海宇繁生物科技有限责任公司 2022-04-29 — — CN disclosed
CN-111662295-B IRAK4 kinase inhibitor and preparation method thereof 珠海宇繁生物科技有限责任公司 2021-09-10 — — CN disclosed
WO-2021018012-A1 IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR 珠海宇繁生物科技有限责任公司 2021-02-04 — — WO disclosed
CN-112300180-A IRAK4 kinase inhibitor and preparation method thereof 珠海宇繁生物科技有限责任公司 2021-02-02 — — CN disclosed
CN-111662295-A IRAK4 kinase inhibitor and preparation method thereof 珠海宇繁生物科技有限责任公司 2020-09-15 — — CN disclosed
EP-2519525-A2 SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 — — EP disclosed
US-20120021432-A1 Phosphorylated NF45 Biomarkers, Antibodies And Methods Of Using Same ARQULE, INC. (US) 2012-01-26 — — US disclosed
WO-2011082273-A3 SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2011-10-20 — — WO disclosed
WO-2011130644-A2 PHOSPHORYLATED NF45 BIOMARKERS, ANTIBODIES AND METHODS OF USING SAME ARQULE, INC. (US) 2011-10-20 — — WO disclosed
WO-2011082273-A2 SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 — — WO disclosed
WO-2011082273-A2 SUBSTITUTED PYRROLO-AMINOPYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2011-07-07 — — WO disclosed
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds ARQULE, INC. (US) 2011-06-30 — — US disclosed
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds ARQULE, INC. (US) 2011-06-30 — — US disclosed
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds ARQULE, INC. (US) 2011-06-30 — — US disclosed
US-20050080101-A1 Pyrazoles-pyrimidine fungicides SYNGENTA CROP PROTECTION, INC. 2005-04-14 — — 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 (3 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-20120021432-A1 Phosphorylated NF45 Biomarkers, Antibodies And Methods Of Using Same NFKB1, NFKBIA, CDC45 AXL 3803/4885NUDT1 4023/4885ADRA2A 4752/4885
US-20110160203-A1 Substituted Pyrrolo-Aminopyrimidine Compounds DPYD, TYMP, DHFR AXL 2232/4885NUDT1 36/4885ADRA2A 4507/4885
US-20050080101-A1 Pyrazoles-pyrimidine fungicides DHFR, CYP3A7, CBR3 AXL 468/4885NUDT1 252/4885ADRA2A 2857/4885

“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.