SCHEMBL1650004

SCHEMBL1650004

Nc1ccnc2ncnn12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 6/20 0.47
RCE1 Q9Y256 1/20 0.47
GAA P10253 5/20 0.46
GLA P06280 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.41
EGLN2 Q96KS0 7/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PDE10A Q9Y233 1/20 0.38
MAPT P10636 1/20 0.37

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
Iodide SCHEMBL30293374 0.98 ALDH1A1 (0.47) ALDH1A1KDM4ERCE1GAAGLA
Hydrochloric Acid SCHEMBL31049672 0.98 ALDH1A1 (0.47) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL10406955 0.76 ALDH1A1 (0.50) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL1332491 0.74 ALDH1A1 (0.49) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL21686239 0.74 ALDH1A1 (0.49) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL17425765 0.74 ALDH1A1 (0.49) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL7899954 0.74 ALDH1A1 (0.52) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL1333523 0.74 ALDH1A1 (0.49) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL8411017 0.74 ALDH1A1 (0.49) ALDH1A1KDM4ERCE1GAAGLA
SCHEMBL5090716 0.74 ALDH1A1 (0.47) ALDH1A1KDM4ERCE1GAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115380027-A Novel antimalarial agents 肯塔基大学研究基金会 2022-11-22 CN claimed
CN-114846004-A Novel antimalarial drug 德克萨斯大学系统董事会 2022-08-02 CN claimed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US claimed
EP-3328840-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-06-06 EP claimed
WO-2017003894-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO claimed
EP-1633756-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-03-15 EP claimed
WO-2004092173-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS BIOGEN IDEC MA INC. (US) 2004-10-28 WO claimed
WO-2026107227-A1 COMPOSITIONS COMPRISING USP1 INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2026-05-21 WO disclosed
CN-121662757-B Raw polar plate colloid battery and preparation process thereof 武汉长光电源有限公司 2026-05-15 CN disclosed
WO-2026089632-A1 7-АМINO-[1,2,4]TRIAZOLO[1,5-А]PYRIMIDINE DERIVATIVES AND PHARMACEUTICALLY ACCEPTBALE SALTS THEREOF HAVING ANTIVIRAL AND ANTIMICROBIAL ACTIVITY Общество с ограниченной ответственностью "Фармавирон" 2026-04-30 WO disclosed
WO-2026089632-A1 7-АМINO-[1,2,4]TRIAZOLO[1,5-А]PYRIMIDINE DERIVATIVES AND PHARMACEUTICALLY ACCEPTBALE SALTS THEREOF HAVING ANTIVIRAL AND ANTIMICROBIAL ACTIVITY Общество с ограниченной ответственностью "Фармавирон" 2026-04-30 WO disclosed
WO-2025233865-A1 ENPP1 INHIBITORS RE VENTURES I, LLC (US) 2025-11-13 WO disclosed
CN-116621840-B 6-Nitro-7-amino- [1,2,4] triazole [1,5-a ] pyrimidine, synthesis method and application 西安近代化学研究所 2025-05-13 CN disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 EP disclosed
US-20070173505-A1 A2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-07-26 US disclosed
WO-2007023018-A1 7-AMINO-6-TRIAZOLYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-03-01 WO disclosed
WO-2006108792-A1 NEW HETEROCYCLYLETHYLBENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2006-10-19 WO disclosed
WO-2006079480-A1 PESTICIDAL SUBSTITUTED THIOETHERS MERIAL LTD. (US) 2006-08-03 WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP 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 (2 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-20070173505-A1 A2a adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ALDH1A1 357/4885KDM4E 2402/4885RCE1 2020/4885
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE3A, PDE4D ALDH1A1 1376/4885KDM4E 2962/4885RCE1 937/4885

“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.