SCHEMBL200349

SCHEMBL200349

Nc1ncnc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT14 O95848 3/20 0.62
NUDT5 Q9UKK9 3/20 0.62
PIK3CD O00329 3/20 0.62
PIK3CA P42336 3/20 0.62
PIK3CB P42338 3/20 0.62
PIK3CG P48736 3/20 0.62
PRKDC P78527 3/20 0.62
BTK Q06187 11/20 0.50
LCK P06239 7/20 0.50
LYN P07948 2/20 0.50
SRC P12931 6/20 0.47
TEK Q02763 5/20 0.47
KDR P35968 3/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
RGS12 O14924 1/20 0.45
NPC1 O15118 1/20 0.45
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EGFR P00533 1/20 0.45

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
Hydrochloric Acid SCHEMBL29439185 0.99 NUDT14 (0.61) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
Trifluoroacetic Acid SCHEMBL29836326 0.89 NUDT14 (0.52) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL15613551 0.89 LCK (0.52) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL16931738 0.88 NUDT14 (0.49) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL30387716 0.88 PIK3CD (0.65) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL17626654 0.88 NUDT14 (0.48) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL18235468 0.88 KDR (0.49) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL12713498 0.88 PIK3CD (0.50) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL12808147 0.88 BTK (0.50) NUDT14NUDT5PIK3CDPIK3CAPIK3CB
SCHEMBL5065122 0.87 PIK3CD (0.57) NUDT14NUDT5PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250241918-A1 NOVEL USE OF PYRAZOLOPYRIMIDINE COMPOUND Hefei Youyuan Pharmaceutical Co., Ltd. (CN) 2025-07-31 US claimed
EP-4509125-A1 NOVEL USE OF PYRAZOLOPYRIMIDINE COMPOUND Hefei Youyuan Pharmaceutical Co., Ltd. (CN) 2025-02-19 EP claimed
CN-114853764-B Preparation process of ibutenib 埃斯特维华义制药有限公司 2024-04-26 CN claimed
CN-115716832-A Preparation method and application of ibrutinib impurity 深圳鼎邦化学品有限公司 2023-02-28 CN claimed
CN-114853764-A Preparation process of ibrutinib 埃斯特维华义制药有限公司 2022-08-05 CN claimed
CN-111646998-B Synthesis method of ibrutinib 扬子江药业集团江苏紫龙药业有限公司 2022-05-13 CN claimed
CN-111116593-B Continuous preparation method of imatinib 河北合佳医药科技集团股份有限公司 2020-11-24 CN claimed
CN-111116593-A Continuous and low-cost preparation method of imatinib 河北合佳医药科技集团股份有限公司 2020-05-08 CN claimed
US-10626117-B2 Process for the preparation of Ibrutinib NATCO PHARMA LIMITED (IN) 2020-04-21 US claimed
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-20190241567-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF IBRUTINIB NATCO PHARMA LIMITED (IN) 2019-08-08 US claimed
US-20190040070-A1 PROCESS FOR THE SYNTHESIS OF STABLE AMORPHOUS IBRUTINIB AZAD PHARMACEUTICAL INGREDIENTS AG (CH) 2019-02-07 US claimed
WO-2017163257-A1 PROCESS FOR PREPARING PURE LH-PYRAZOLO[3,4-D] PYRIMIDINE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2017-09-28 WO claimed
WO-2017134684-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF IBRUTINIB NATCO PHARMA LIMITED (IN) 2017-08-10 WO claimed
WO-2017134588-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2017-08-10 WO claimed
WO-2016170545-A1 PROCESS FOR THE PREPARATION OF 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENVL)-1H- PVRAZOLO[3,4-D]PYRINIIDIN-1-Y1]-1-PIPERIDINVL]-2-PROPEN-1-ONE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2016-10-27 WO claimed
EP-4745138-A1 THIO-GLUTARIMIDO ISOINDOLINONE DERIVATIVE, BIFUNCTIONAL PROTEIN DEGRADER CONTAINING SAME, AND USES THEREOF Gluetacs Therapeutics (Shanghai) Co., Ltd. (CN) 2026-05-20 EP disclosed
US-12559454-B2 Benzenesulfonamide derivatives and uses thereof 2692372 ONTARIO, INC. (CA) 2026-02-24 US disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 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 (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-20250241918-A1 NOVEL USE OF PYRAZOLOPYRIMIDINE COMPOUND NLRP3, NLRP1, CASP1 NUDT14 1653/4885NUDT5 860/4885PIK3CD 4033/4885
US-20190241567-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF IBRUTINIB BTK, SYK, BCL6B NUDT14 2631/4885NUDT5 2165/4885PIK3CD 159/4885
US-12559454-B2 Benzenesulfonamide derivatives and uses thereof NR2E1, NR2C2, NR3C1 NUDT14 4306/4885NUDT5 4775/4885PIK3CD 4821/4885
US-20190040070-A1 PROCESS FOR THE SYNTHESIS OF STABLE AMORPHOUS IBRUTINIB BCL6B, BCL6, BCL9 NUDT14 2161/4885NUDT5 2174/4885PIK3CD 413/4885
US-10626117-B2 Process for the preparation of Ibrutinib BTK, SYK, BCL6B NUDT14 2405/4885NUDT5 1925/4885PIK3CD 212/4885

“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.