SCHEMBL2812929

SCHEMBL2812929

COc1ccc(CN2CCc3n[nH]c4nc(NCc5ccc(Cl)cc5)nc2c34)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HRH4 Q9H3N8 3/20 0.42
HRH1 P35367 2/20 0.42
CLPP Q16740 1/20 0.41
GAA P10253 1/20 0.40
VNN1 O95497 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2812821 0.94 SMN1; SMN2 (0.42) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL537583 0.92 CLPP (0.49) MAPTSMN1; SMN2HRH4HRH1CLPP
SCHEMBL2813804 0.88 CXCR4 (0.42) MAPTSMN1; SMN2HRH4HRH1CLPP
SCHEMBL2812343 0.87 CLPP (0.45) MAPTSMN1; SMN2HRH4HRH1CLPP
SCHEMBL2816650 0.86 ALDH1A1 (0.43) CLK4DYRK1AHRH4HRH1CLPP
SCHEMBL2813059 0.85 CLPP (0.39) CLK1DYRK1AMAPTHRH4HRH1
SCHEMBL2810268 0.85 CLPP (0.42) MAPTSMN1; SMN2HRH4HRH1CLPP
SCHEMBL2813934 0.85 CLPP (0.42) MAPTSMN1; SMN2HRH4HRH1CLPP
SCHEMBL2809363 0.84 GRK6 (0.42) MAPTGAAALDH1A1POLBKDM4E
SCHEMBL14405862 0.84 TLR9 (0.41) HRH4HRH1CLPPGAAMEN1

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 7 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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.