SCHEMBL2808082

SCHEMBL2808082

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NC5Cc6ccccc6C5)nc2c34)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
POLB P06746 1/20 0.37
CLPP Q16740 2/20 0.37
P2RX7 Q99572 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH1 P35367 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36

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
SCHEMBL2809608 0.90 ACHE (0.43) ACHEBACE1KMT2AMEN1SIGMAR1
SCHEMBL2812070 0.90 HRH1 (0.39) ACHEBACE1ALDH1A1GAAALOX15
SCHEMBL2808269 0.86 CLPP (0.48) ACHEBACE1ALDH1A1TSHRKMT2A
SCHEMBL2814449 0.83 ADORA3 (0.42) ALDH1A1SIGMAR1CLPPSMN1; SMN2HRH1
SCHEMBL13145454 0.83 CLPP (0.46) ACHEBACE1ALDH1A1TSHRKMT2A
SCHEMBL2814131 0.82 CLPP (0.45) ACHEBACE1ALDH1A1SIGMAR1CLPP
SCHEMBL2812067 0.82 HRH1 (0.39) ACHEBACE1ALDH1A1GAAALOX15
SCHEMBL2816433 0.81 ACHE (0.43) ACHEBACE1KMT2AMEN1SIGMAR1
SCHEMBL2814236 0.81 CLPP (0.39) ACHEBACE1ALDH1A1GAAALOX15
SCHEMBL2809338 0.81 CLPP (0.39) ALDH1A1GAAALOX15TSHRKMT2A

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 ACHE 4402/4885BACE1 3588/4885ALDH1A1 924/4885

“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.