SCHEMBL2809346

SCHEMBL2809346

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCC(C)O)nc2c43)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TLR7 Q9NYK1 2/20 0.36
GBA1 P04062 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNA1I Q9P0X4 2/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HRH2 P25021 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
SCHEMBL2808272 0.89 ACHE (0.46) SIGMAR1ACHEBACE1KMT2AMEN1
SCHEMBL2816723 0.88 GBA1 (0.34) SIGMAR1ACHEBACE1TLR7GBA1
SCHEMBL2814452 0.87 SMN1; SMN2 (0.41) SIGMAR1ACHEBACE1KMT2AMEN1
SCHEMBL2814133 0.86 ACHE (0.43) SIGMAR1ACHEBACE1KMT2AMEN1
SCHEMBL2808419 0.85 TLR7 (0.38) ACHEBACE1KMT2AMEN1TLR7
SCHEMBL2812371 0.85 KMT2A (0.39) SIGMAR1ACHEBACE1KMT2AMEN1
SCHEMBL2814240 0.85 ACHE (0.39) SIGMAR1ACHEBACE1KMT2AMEN1
SCHEMBL2816435 0.85 ACHE (0.44) SIGMAR1ACHEBACE1KMT2AMEN1
SCHEMBL2813907 0.84 HDAC3 (0.41) SIGMAR1ACHEKMT2AMEN1ALDH1A1
SCHEMBL2811710 0.84 TUBB4A (0.43) ACHEBACE1KMT2AMEN1TLR7

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 SIGMAR1 4535/4885ACHE 4402/4885BACE1 3588/4885

“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.