SCHEMBL7440965

SCHEMBL7440965

CCCCCCC(C(C)O)n1cnc2c(=O)[nH]c(C3CCCCC3)nc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADA P00813 7/20 0.49
PDE2A O00408 3/20 0.49
CYP3A4 P08684 2/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL7442757 0.86 ADORA2A (0.36) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL6051984 0.85 HPGD (0.42) PDE2AALDH1A1ALOX15HSD17B10TSHR
SCHEMBL7449080 0.85 ADORA2A (0.39) ALDH1A1CYP1A2ALOX15TSHRHIF1A
SCHEMBL7442592 0.83 HPGD (0.38) ADAPDE2AALDH1A1ALOX15TSHR
SCHEMBL6051952 0.76 ADA (0.51) ADAPDE2ACYP3A4PDE4APDE4B
Nosantine SCHEMBL2111679 0.75 ADA (0.65) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL7433401 0.74 ALDH1A1 (0.40) PDE2AALDH1A1ALOX15HSD17B10TSHR
SCHEMBL7445158 0.73 ALDH1A1 (0.40) PDE2AALDH1A1ALOX15HSD17B10TSHR
SCHEMBL8140677 0.72 PDE5A (0.60) ADAPDE2APDE4APDE4BPDE4C
SCHEMBL25095261 0.71 ADORA2A (0.49) CYP3A4CYP1A2SMN1; SMN2TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440981-B1 REGULATING APOPTOSIS IN HUMAN CELLS COMPRISING EXPOSING SAID CELLS TO AN EFFECTIVE AMOUNT OF A 2,9-DISUBSTITUTED PURINE-6 ONE COMPOUND CELL PATHWAYS, INC. 2002-08-27 US disclosed
US-20020032209-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 2,9-disubstituted purin-6-ones OSI PHARMACEUTICALS, INC. 2002-03-14 US disclosed
US-6268372-B1 Method for inhibiting neoplastic cells and related conditions by exposure to 2,9-disubstituted purin-6-ones CELL PATHWAYS, INC. 2001-07-31 US disclosed
US-5861404-A ANTIINFLAMMATORY AGENTS, THROMBOEMBOLIC AND CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
EP-0722944-A1 2-9-Disubstituted Purin-6-ones BAYER AG (DE) 1996-07-24 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 (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-20020032209-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 2,9-disubstituted purin-6-ones MKI67, PCNA, HRAS ADA 3473/4885PDE2A 4184/4885CYP3A4 4464/4885

“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.