Sugi Predict

Sugi Predict / Compounds / SCHEMBL3420175

SCHEMBL3420175

SCHEMBL3420175

Nc1ncnc2n[nH]c(I)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 16/20 0.59
▸ PIK3CA P42336 16/20 0.59
▸ PIK3CB P42338 16/20 0.59
▸ PIK3CG P48736 16/20 0.59
▸ PRKDC P78527 16/20 0.59
▸ ABL1 P00519 3/20 0.56
▸ SRC P12931 3/20 0.56
▸ NUDT14 O95848 1/20 0.49
▸ NUDT5 Q9UKK9 1/20 0.49
▸ MTOR P42345 2/20 0.47
▸ SGK1 O00141 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ DYRK3 O43781 1/20 0.47
▸ EIF4E P06730 1/20 0.47
▸ EIF2AK2 P19525 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ BRSK2 Q8IWQ3 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.47

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
SCHEMBL14742662 0.78 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3422985 0.78 ABL1 (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3423942 0.78 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Ribose (Furanose) SCHEMBL5576201 0.78 ADK (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Ribose (Furanose) SCHEMBL4077631 0.78 ADK (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8326897 0.74 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8323143 0.73 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8801 0.71 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL887795 0.71 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8325669 0.71 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134472-B Synthesis process of 3- (4-phenoxyphenyl) -1H-pyrazolo [3,4-d ] pyrimidine-4-amine 浙江理工大学 2020-02-11 — — CN claimed
US-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 — — US claimed
CN-114736207-B Preparation process of small molecule HER2 inhibitor 武汉九州钰民医药科技有限公司 2023-03-31 — — CN disclosed
CN-112321591-B Discoid domain receptor 1 protein inhibitor, preparation method and application 中国药科大学 2022-11-08 — — CN disclosed
CN-114736207-A Preparation process of small molecule HER2 inhibitor 武汉九州钰民医药科技有限公司 2022-07-12 — — CN disclosed
CN-106831788-B Ibutotinib refining method 鲁南制药集团股份有限公司 2020-10-30 — — CN disclosed
CN-109134472-B Synthesis process of 3- (4-phenoxyphenyl) -1H-pyrazolo [3,4-d ] pyrimidine-4-amine 浙江理工大学 2020-02-11 — — CN disclosed
CN-109134472-B Synthesis process of 3- (4-phenoxyphenyl) -1H-pyrazolo [3,4-d ] pyrimidine-4-amine 浙江理工大学 2020-02-11 — — CN disclosed
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 — — US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 — — US disclosed
EP-1730148-A4 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LAB (US) 2009-08-19 — — EP disclosed
US-20030180757-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2003-09-25 — — US disclosed
US-6596856-B2 For probes, comprising a heterocycle condensed with a cyclic group such as ribofuranose derivative; biotin and 5-carboxyfluorescein derivatives AFFYMETRIX, INC. 2003-07-22 — — US disclosed
US-20020165372-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2002-11-07 — — US disclosed
WO-2000006771-A9 NUCLEIC ACID LABELING COMPOUNDS AFFYMETRIX INC (US) 2002-08-22 — — WO disclosed
US-20010044531-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2001-11-22 — — US disclosed
US-20010018514-A1 NUCLEIC ACID LABELING COMPOUNDS AFFYMETRIX, INC. 2001-08-30 — — US disclosed
EP-1124838-A2 NUCLEIC ACID LABELING COMPOUNDS Affymetrix, Inc. (US) 2001-08-22 — — EP disclosed
WO-2000006771-A2 NUCLEIC ACID LABELING COMPOUNDS AFFYMETRIX, INC. (US) 2000-02-10 — — WO disclosed
WO-1994006438-A1 ADENOSINE ANALOGUES AND METHOD OF INCREASING ADENOSINE RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-31 — — 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 (6 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-20030180757-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL PIK3CD 3979/4885PIK3CA 2900/4885PIK3CB 2920/4885
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF DPYD, TYMP, WEE1 PIK3CD 991/4885PIK3CA 253/4885PIK3CB 914/4885
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof DPYD, TYMP, WEE1 PIK3CD 991/4885PIK3CA 253/4885PIK3CB 914/4885
US-20010044531-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL PIK3CD 3979/4885PIK3CA 2900/4885PIK3CB 2920/4885
US-20010018514-A1 NUCLEIC ACID LABELING COMPOUNDS RNGTT, DUT, FBL PIK3CD 3979/4885PIK3CA 2900/4885PIK3CB 2920/4885
US-20020165372-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL PIK3CD 3979/4885PIK3CA 2900/4885PIK3CB 2920/4885

“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.