SCHEMBL2816435

SCHEMBL2816435

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCC5CCCCCC5)nc2c43)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
BACE1 P56817 3/20 0.44
VCP P55072 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
GRIN2B Q13224 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.36
HRH2 P25021 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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) ACHEBACE1TLR7SIGMAR1KMT2A
SCHEMBL2811744 0.88 ACHE (0.38) ACHEBACE1TLR7GRIN2BKMT2A
SCHEMBL2814452 0.87 SMN1; SMN2 (0.41) ACHEBACE1TLR7SIGMAR1KMT2A
SCHEMBL2814133 0.86 ACHE (0.43) ACHEBACE1TLR7SIGMAR1KMT2A
SCHEMBL2809610 0.85 ACHE (0.44) ACHEBACE1SIGMAR1KMT2AMEN1
SCHEMBL2814240 0.85 ACHE (0.39) ACHEBACE1TLR7SIGMAR1KMT2A
SCHEMBL2809346 0.85 SIGMAR1 (0.38) ACHEBACE1TLR7SIGMAR1KMT2A
SCHEMBL2811710 0.84 TUBB4A (0.43) ACHEBACE1TLR7KMT2AMEN1
SCHEMBL2812911 0.84 MAPT (0.38) ACHEBACE1TLR7SIGMAR1KMT2A
SCHEMBL2812219 0.84 MAPT (0.42) ACHEBACE1KMT2AMEN1KDM4E

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 3588/4885VCP 3284/4885

“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.