SCHEMBL408916

SCHEMBL408916

Fc1ncc2[nH]cnc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
CDK2 P24941 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PAK1 Q13153 1/20 0.44
CCNT1 O60563 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
POLA1 P09884 1/20 0.37
SCD O00767 2/20 0.36
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
PDPK1 O15530 1/20 0.31
GDA Q9Y2T3 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL29464976 1.00 ALDH1A1 (0.59) ALDH1A1KDM4ECDK2RXFP1PAK1
Hydrochloric Acid SCHEMBL30389813 0.98 ALDH1A1 (0.57) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL767075 0.89 ALDH1A1 (0.53) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL29452971 0.77 ALDH1A1 (0.63) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL5748057 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL11486223 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL7663294 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL375956 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL5170029 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL2009847 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ECDK2RXFP1PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238139-B1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-09-27 EP claimed
US-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF BARRE LOUISA 2010-11-18 US claimed
EP-2238139-A2 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2010-10-13 EP claimed
WO-2009087066-A2 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-07-16 WO claimed
EP-0706387-B1 NEW PROCEDURE TO BLOCK THE REPLICATION OF REVERSE TRANSCRIPTASE DEPENDENT VIRUSES BY THE USE OF INHIBITORS OF DEOXYNUCLEOTIDES SYNTHESIS US GOV HEALTH & HUMAN SERV (US) 2004-08-18 EP claimed
US-5958691-A DETECTION OF NUCLEIC ACID LIGANDS WITH MODIFIED NUCLEOTIDE TO TARGET GROUPS, SINGLE STRAND NUCLEIC ACIDS AND PARTITIONING THE NUCLEIC ACIDS, AMPLIFICATION NEXSTAR PHARMACEUTICALS, INC. (US) 1999-09-28 US claimed
US-5856085-A INCUBATION SINGLE-STRANDED NUCLEIC ACIDS; AMPLIFICATION; ANALYZING THE PENN STATE RESEARCH FOUNDATION (US) 1999-01-05 US claimed
EP-0614462-B1 NEW METHOD OF PREPARING 2-FLUOROPURINE DERIVATIVES SCHERING AG (DE) 1997-12-29 EP claimed
US-5696255-A Process for the production of 2-fluoropurine derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US claimed
US-5660985-A CONTACTING MIXTURE OF MODIFIED SINGLE-STRANDED NUCLEIC ACIDS WITH TARGET MOLECULE, PARTITIONING THOSE WITH INCREASED AFFINITY, AMPLIFYING TO IDENTIFY LIGANDS OF TARGET MOLECULE NEXSTAR PHARMACEUTICALS, INC. (US) 1997-08-26 US claimed
WO-1997020072-A1 COMPOSITIONS AND METHODS OF DEVELOPING OLIGONUCLEOTIDES AND OLIGONUCLEOTIDE ANALOGS HAVING ANTIVIRAL ACTIVITY THE PENN STATE RESEARCH FOUNDATION (US) 1997-06-05 WO claimed
EP-4612294-A2 MODIFIED SHORT INTERFERING NUCLEIC ACID (SINA) MOLECULES AND USES THEREOF Aligos Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-4399217-A2 MODIFIED SHORT INTERFERING NUCLEIC ACID (SINA) MOLECULES AND USES THEREOF Aligos Therapeutics, Inc. (US) 2024-07-17 EP disclosed
EP-4399301-A1 MODIFIED SHORT INTERFERING NUCLEIC ACID (SINA) MOLECULES AND USES THEREOF Aligos Therapeutics, Inc. (US) 2024-07-17 EP disclosed
CN-118354672-A Fungicidal compositions 先正达农作物保护股份公司 2024-07-16 CN disclosed
EP-0614462-A1 NEW METHOD OF PREPARING 2-FLUOROPURINE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1994-09-14 EP disclosed
US-5336764-A 2'-fluorofuranosyl derivatives and novel method of preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-08-09 US disclosed
US-5336764-A 2'-fluorofuranosyl derivatives and novel method of preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-08-09 US disclosed
WO-1993011144-A1 NEW METHOD OF PREPARING 2-FLUOROPURINE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1993-06-10 WO disclosed
WO-1992001700-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-02-06 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 (1 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-20100290990-A1 METHOD FOR PREPARING A MARKED PURINE DERIVATIVE, SAID DERIVATIVE AND USES THEREOF TPMT, NUDT1, DUT ALDH1A1 341/4885KDM4E 884/4885CDK2 2690/4885

“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.