SCHEMBL2808419

SCHEMBL2808419

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCc5cccc6ccccc56)nc2c43)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.38
DRD4 P21917 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
NPBWR1 P48145 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EHMT2 Q96KQ7 2/20 0.37
DNMT3A Q9Y6K1 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
ACP1 P24666 1/20 0.36
APP P05067 1/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 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
SCHEMBL2808272 0.90 ACHE (0.46) TLR7ACHEBACE1MEN1KMT2A
SCHEMBL2814133 0.86 ACHE (0.43) TLR7ACHEBACE1MEN1KMT2A
SCHEMBL2814452 0.85 SMN1; SMN2 (0.41) TLR7ACHEBACE1MEN1KMT2A
SCHEMBL2809346 0.85 SIGMAR1 (0.38) TLR7ACHEBACE1MEN1KMT2A
SCHEMBL2811710 0.84 TUBB4A (0.43) TLR7ACHEBACE1MEN1KMT2A
SCHEMBL2810390 0.84 TRPC5 (0.44) ACHEBACE1MEN1KMT2AKDM4E
SCHEMBL2810354 0.84 MAPT (0.39) TLR7DRD4ACHEBACE1MEN1
SCHEMBL2811021 0.83 BCHE (0.40) TLR7ACHEBACE1MEN1KMT2A
SCHEMBL2814240 0.83 ACHE (0.39) TLR7DRD4ACHEBACE1MEN1
SCHEMBL2816435 0.83 ACHE (0.44) TLR7ACHEBACE1MEN1KMT2A

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 TLR7 3602/4885DRD4 3077/4885ACHE 4402/4885

“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.