SCHEMBL7440938

SCHEMBL7440938

CC(=O)C(CCCc1ccccc1)n1cnc2c(=O)[nH]c(C3CCCCC3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
ALDH1A1 P00352 5/20 0.44
USP2 O75604 4/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE2A O00408 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CASP7 P55210 1/20 0.37
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
SCHEMBL6051984 0.86 HPGD (0.42) HPGDALDH1A1USP2TSHRMEN1
SCHEMBL7449080 0.85 ADORA2A (0.39) HPGDALDH1A1USP2TSHRMEN1
SCHEMBL6051956 0.82 PDE2A (0.43) HPGDALDH1A1USP2TSHRMEN1
SCHEMBL7433401 0.82 ALDH1A1 (0.40) HPGDALDH1A1USP2TSHRMEN1
SCHEMBL7445158 0.80 ALDH1A1 (0.40) HPGDALDH1A1USP2TSHRMEN1
SCHEMBL7442320 0.78 PDE2A (0.52) ALDH1A1KMT2AADORA3PDE2A
SCHEMBL7443226 0.78 ADORA1 (0.39) HPGDALDH1A1USP2TSHRMEN1
SCHEMBL359546 0.74 PDE2A (0.51) HPGDALDH1A1MAPK1TP53PDE2A
SCHEMBL6023455 0.71 PDE2A (0.43) PDE2A
SCHEMBL6024717 0.71 PDE2A (0.46) HPGDALDH1A1TSHRMEN1KMT2A

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 HPGD 612/4885ALDH1A1 1111/4885USP2 816/4885

“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.