SCHEMBL2816723

SCHEMBL2816723

COc1ccc(CN2CCC3NN(C)c4nc(NCC(C)O)nc2c43)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
CNR2 P34972 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
GAA P10253 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TLR9 Q9NR96 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH1 P35367 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
PTGIR P43119 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2809346 0.88 SIGMAR1 (0.38) GBA1TLR7SIGMAR1ALDH1A1ALOX15
SCHEMBL2814492 0.86 TSHR (0.37) GAAALDH1A1LMNAMAPT
SCHEMBL2812798 0.85 ACHE (0.46) TLR7TLR9SIGMAR1HRH1HRH4
SCHEMBL2811744 0.84 ACHE (0.38) TLR7TLR9ACHEBACE1
SCHEMBL2812112 0.84 PTGIR (0.34) MMP1MMP13CNR2TLR7GAA
SCHEMBL2812157 0.83 SMN1; SMN2 (0.39) MMP1MMP13CNR2ALDH1A1ALOX15
SCHEMBL2809955 0.83 MAPT (0.37) TLR7GAATLR9ALDH1A1LMNA
SCHEMBL2809538 0.82 EHMT2 (0.41) CNR2GAASIGMAR1HRH1HRH4
SCHEMBL2809870 0.81 PIK3CA (0.46) ALDH1A1LMNABACE1MAPT
SCHEMBL2809433 0.81 CXCR3 (0.38) TLR7SIGMAR1ALDH1A1ACHEBACE1

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 GBA1 2148/4885MMP1 4717/4885MMP13 4525/4885

“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.