SCHEMBL14636643

SCHEMBL14636643

Nc1ncnc2c1cnn2CCN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 1.00

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
SCHEMBL14630638 1.00 SIGMAR1 (1.00) SIGMAR1
SCHEMBL14631379 0.88 SIGMAR1 (0.79) SIGMAR1
SCHEMBL1740626 0.87 SIGMAR1 (0.78) SIGMAR1
SCHEMBL14636547 0.83 SIGMAR1 (0.71) SIGMAR1
SCHEMBL14635580 0.83 SIGMAR1 (0.71) SIGMAR1
SCHEMBL14636070 0.82 SIGMAR1 (1.00) SIGMAR1
SCHEMBL15783664 0.81 SIGMAR1 (0.67) SIGMAR1
SCHEMBL14636755 0.80 SIGMAR1 (0.68) SIGMAR1
SCHEMBL27955503 0.79 SIGMAR1 (0.64) SIGMAR1
SCHEMBL27955542 0.79 SIGMAR1 (0.64) SIGMAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567338-B2 Pyrazolo[3,4-d]pyrimidine compounds, their preparation and use as sigma ligands LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2017-02-14 US disclosed
EP-2734524-B1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS ESTEVE LABOR DR (ES) 2017-01-11 EP disclosed
US-20150315190-A2 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2015-11-05 US disclosed
US-20140163010-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-06-12 US disclosed
EP-2734524-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-05-28 EP disclosed
WO-2013010950-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-01-24 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 (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-20150315190-A2 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS SIGMAR1, P2RX4, P2RX3 SIGMAR1 1/4885
US-20140163010-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS SIGMAR1, P2RX4, P2RX3 SIGMAR1 1/4885

“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.