SCHEMBL2811744

SCHEMBL2811744

COc1ccc(CN2CCC3NN(C)c4nc(NCC5CCCCCC5)nc2c43)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
TLR7 Q9NYK1 3/20 0.38
TLR9 Q9NR96 3/20 0.38
GRIN2B Q13224 1/20 0.37
HTT P42858 1/20 0.37
PDE9A O76083 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
GALR1 P47211 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MAT2A P31153 1/20 0.34

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
SCHEMBL2816435 0.88 ACHE (0.44) ACHEBACE1TLR7GRIN2BMEN1
SCHEMBL2814492 0.86 TSHR (0.37) HTTTDP1MEN1KMT2A
SCHEMBL2812798 0.85 ACHE (0.46) ACHEBACE1TLR7TLR9MEN1
SCHEMBL2816723 0.84 GBA1 (0.34) ACHEBACE1TLR7TLR9
SCHEMBL2809955 0.83 MAPT (0.37) TLR7TLR9HTTTDP1MEN1
SCHEMBL2809538 0.82 EHMT2 (0.41) HTTMEN1KMT2APOLB
SCHEMBL2811683 0.82 PTGIR (0.40) GALR1
SCHEMBL2809870 0.81 PIK3CA (0.46) BACE1
SCHEMBL2809433 0.81 CXCR3 (0.38) ACHEBACE1TLR7MEN1KMT2A
SCHEMBL2809652 0.81 EGFR (0.45) HTTTDP1MEN1KMT2A

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.