SCHEMBL2812798

SCHEMBL2812798

COc1ccc(CN2CCC3NN(C)c4nc(NCc5ccccc5)nc2c43)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
TLR7 Q9NYK1 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HRH1 P35367 3/20 0.43
HRH4 Q9H3N8 3/20 0.43
CLPP Q16740 1/20 0.41
APP P05067 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ACP1 P24666 1/20 0.40
TLR9 Q9NR96 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
SCHEMBL2808272 0.91 ACHE (0.46) ACHEBACE1TLR7MEN1KMT2A
SCHEMBL2809660 0.90 ALDH1A1 (0.42) ACHEBACE1MEN1KMT2A
SCHEMBL2809433 0.88 CXCR3 (0.38) ACHEBACE1TLR7MEN1KMT2A
SCHEMBL2810912 0.88 ADORA3 (0.42) ACHEBACE1MEN1KMT2AHRH1
SCHEMBL2814492 0.88 TSHR (0.37) MEN1KMT2A
SCHEMBL2814133 0.87 ACHE (0.43) ACHEBACE1TLR7MEN1KMT2A
SCHEMBL2809652 0.87 EGFR (0.45) MEN1KMT2A
SCHEMBL2812459 0.86 HRH3 (0.39) MEN1KMT2ASIGMAR1
SCHEMBL2816723 0.85 GBA1 (0.34) ACHEBACE1TLR7HRH1HRH4
SCHEMBL2811744 0.85 ACHE (0.38) ACHEBACE1TLR7MEN1KMT2A

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 2 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-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 3588/4885TLR7 3602/4885

“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.