SCHEMBL2808269

SCHEMBL2808269

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NCc5ccccc5)nc2c34)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.48
HRH1 P35367 3/20 0.45
HRH4 Q9H3N8 3/20 0.45
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
TLR7 Q9NYK1 2/20 0.42
APP P05067 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
SLC2A1 P11166 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
SCHEMBL13145454 0.97 CLPP (0.46) CLPPHRH1HRH4ACHEBACE1
SCHEMBL2814131 0.96 CLPP (0.45) CLPPHRH1HRH4ACHEBACE1
SCHEMBL2811706 0.92 TUBB4A (0.44) CLPPHRH1HRH4ACHEBACE1
SCHEMBL2814449 0.92 ADORA3 (0.42) CLPPHRH1HRH4SIGMAR1ALDH1A1
SCHEMBL2812793 0.90 HRH1 (0.47) CLPPHRH1HRH4ACHEBACE1
SCHEMBL2810384 0.90 EGFR (0.44) CLPPMEN1KMT2AL3MBTL1KDM4E
SCHEMBL2808414 0.90 OPRK1 (0.42) CLPPHRH1HRH4TLR7APP
SCHEMBL2814236 0.89 CLPP (0.39) CLPPHRH1HRH4ACHEBACE1
SCHEMBL2809338 0.89 CLPP (0.39) CLPPHRH1HRH4SIGMAR1KMT2A
SCHEMBL2812190 0.89 ALDH1A1 (0.47) CLPPACHEBACE1MEN1KMT2A

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 CLPP 2832/4885HRH1 2327/4885HRH4 1891/4885

“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.