SCHEMBL3730730

SCHEMBL3730730

C1=CC(c2cnc3[nH]ncc3c2N2CCNCC2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.38
CHEK2 O96017 3/20 0.38
PLK4 O00444 1/20 0.37
PAK4 O96013 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
ADRB2 P07550 1/20 0.35
AKT2 P31751 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PDE10A Q9Y233 1/20 0.33
HTR7 P34969 5/20 0.33
HTR1A P08908 4/20 0.33
HTR2B P41595 4/20 0.33
HTR6 P50406 4/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTR3A P46098 1/20 0.33

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 SCHEMBL3716594 0.99 CHEK1 (0.38) CHEK1CHEK2PLK4PAK4CCNC
SCHEMBL4178231 0.79 CHEK1 (0.58) CHEK1CHEK2CCNCCDK8CDK19
Hydrochloric Acid SCHEMBL3714080 0.78 CHEK1 (0.57) CHEK1CHEK2CCNCCDK8CDK19
Hydrochloric Acid SCHEMBL3716314 0.78 CHEK1 (0.57) CHEK1CHEK2CCNCCDK8CDK19
SCHEMBL3739355 0.77 JAK1 (0.42) MAPT
SCHEMBL4164895 0.76 CHEK1 (0.54) CHEK1CHEK2PLK4PAK4ADRB2
SCHEMBL3736680 0.76 AKT2 (0.41) CHEK1CHEK2PLK4PAK4ADRB2
Hydrochloric Acid SCHEMBL3720255 0.75 PLK4 (0.44) CHEK1CHEK2PLK4PAK4ADRB2
Hydrochloric Acid SCHEMBL3718343 0.75 CHEK1 (0.53) CHEK1CHEK2PLK4PAK4ADRB2
Hydrochloric Acid SCHEMBL3723324 0.75 ADRB2 (0.53) CHEK1CHEK2PLK4PAK4ADRB2

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 3 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
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

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 CHEK1 2/4885CHEK2 1/4885PLK4 102/4885

“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.