SCHEMBL3730728

SCHEMBL3730728

c1nc2[nH]ncc2c(N2CCNCC2)c1C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.39
CHEK1 O14757 5/20 0.37
CHEK2 O96017 3/20 0.37
PLK4 O00444 1/20 0.37
PAK4 O96013 1/20 0.37
HPGDS O60760 1/20 0.36
JAK3 P52333 2/20 0.36
BRD4 O60885 1/20 0.35
ADRB2 P07550 1/20 0.35
FLT3 P36888 2/20 0.35
NUDT1 P36639 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
Hydrochloric Acid SCHEMBL3716590 0.99 AKT2 (0.39) AKT2CHEK1CHEK2PLK4PAK4
SCHEMBL3736680 0.95 AKT2 (0.41) AKT2CHEK1CHEK2PLK4PAK4
Hydrochloric Acid SCHEMBL3721934 0.93 AKT2 (0.40) AKT2CHEK1CHEK2PLK4PAK4
Hydrochloric Acid SCHEMBL3721311 0.93 AKT2 (0.40) AKT2CHEK1CHEK2PLK4PAK4
SCHEMBL11961059 0.77 HRH2 (0.41) JAK3PIK3CDPIK3CAPIK3CB
SCHEMBL3739352 0.77 JAK1 (0.44) JAK3JAK2JAK1TYK2
SCHEMBL4164895 0.76 CHEK1 (0.54) AKT2CHEK1CHEK2PLK4PAK4
Hydrochloric Acid SCHEMBL3743137 0.76 HRH2 (0.41) JAK3PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL3720255 0.75 PLK4 (0.44) AKT2CHEK1CHEK2PLK4PAK4
Hydrochloric Acid SCHEMBL3718343 0.75 CHEK1 (0.53) AKT2CHEK1CHEK2PLK4PAK4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 US disclosed
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 US disclosed
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 US disclosed
EP-2242757-B1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-08-01 EP disclosed
EP-2242757-B1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-08-01 EP disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 US disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 US disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 US disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO 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-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT2 594/4885CHEK1 2/4885CHEK2 1/4885

“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.