SCHEMBL2812933

SCHEMBL2812933

COc1ccc(CN2CCC3NNc4nc(NCc5ccc(Cl)cc5)nc2c43)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VNN1 O95497 1/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR7 Q9NYK1 3/20 0.37
TLR9 Q9NR96 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL537584 0.93 ACHE (0.45) MAPTACHEBACE1MEN1KMT2A
SCHEMBL2813810 0.88 CXCR4 (0.45) MAPTACHEBACE1LMNAMEN1
SCHEMBL2816659 0.87 ALDH1A1 (0.41) CLK4DYRK1AVNN1ACHEBACE1
SCHEMBL2813066 0.86 ACHE (0.38) MAPTACHEBACE1POLBMEN1
SCHEMBL2813941 0.85 ADORA3 (0.41) MAPTSMN1; SMN2ACHEBACE1MEN1
SCHEMBL2810273 0.85 ADORA3 (0.41) MAPTSMN1; SMN2ACHEBACE1MEN1
SCHEMBL2812972 0.84 SIGMAR1 (0.38) MAPTACHEBACE1MEN1KMT2A
SCHEMBL2809367 0.84 CNR2 (0.40) MAPTSMN1; SMN2LMNAPOLBMEN1
SCHEMBL2812214 0.84 ADORA2A (0.42) SMN1; SMN2ALDH1A1TP53
SCHEMBL2813447 0.83 MAPT (0.41) MAPTSMN1; SMN2ACHEBACE1LMNA

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 CLK4 1940/4885CLK1 2202/4885CLK2 1307/4885

“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.