SCHEMBL2809448

SCHEMBL2809448

COc1cc(CNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
BACE1 P56817 4/20 0.47
BCHE P06276 3/20 0.46
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.39
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR7 Q9NYK1 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
SCHEMBL2816684 0.91 ACHE (0.47) ACHEBACE1BCHESIGMAR1GAA
SCHEMBL2812972 0.89 SIGMAR1 (0.38) ACHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL2811945 0.87 ACHE (0.38) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL2812214 0.87 ADORA2A (0.42) SIGMAR1GAAAPP
SCHEMBL537584 0.86 ACHE (0.45) ACHEBACE1SIGMAR1APPMEN1
SCHEMBL2813853 0.84 BACE1 (0.42) ACHEBACE1BCHESIGMAR1MEN1
SCHEMBL2813048 0.83 IP6K1 (0.40) SIGMAR1MEN1KMT2A
SCHEMBL2814513 0.83 CXCR4 (0.37) ACHEBACE1MEN1KMT2A
SCHEMBL2812302 0.82 ACHE (0.37) ACHEBACE1MEN1KMT2A
SCHEMBL2813035 0.82 MCHR1 (0.36) SIGMAR1

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 3588/4885BCHE 4134/4885

“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.