SCHEMBL3736680

SCHEMBL3736680

c1nc2[nH]ncc2c(N2CCNCC2)c1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.41
CHEK1 O14757 5/20 0.38
CHEK2 O96017 3/20 0.38
PLK4 O00444 1/20 0.38
PAK4 O96013 1/20 0.38
HTR2B P41595 2/20 0.37
HTR2C P28335 1/20 0.37
ADRB2 P07550 1/20 0.36
CDK2 P24941 2/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CCNA1 P78396 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
FLT3 P36888 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
Hydrochloric Acid SCHEMBL3721311 0.99 AKT2 (0.40) AKT2CHEK1CHEK2PLK4PAK4
Hydrochloric Acid SCHEMBL3721934 0.99 AKT2 (0.40) AKT2CHEK1CHEK2PLK4PAK4
SCHEMBL3730728 0.95 AKT2 (0.39) AKT2CHEK1CHEK2PLK4PAK4
Hydrochloric Acid SCHEMBL3716590 0.93 AKT2 (0.39) AKT2CHEK1CHEK2PLK4PAK4
SCHEMBL4164895 0.78 CHEK1 (0.54) AKT2CHEK1CHEK2PLK4PAK4
Hydrochloric Acid SCHEMBL3718343 0.77 CHEK1 (0.53) AKT2CHEK1CHEK2PLK4PAK4
Hydrochloric Acid SCHEMBL3720255 0.77 PLK4 (0.44) AKT2CHEK1CHEK2PLK4PAK4
Hydrochloric Acid SCHEMBL3723324 0.77 ADRB2 (0.53) CHEK1CHEK2PLK4PAK4HTR2B
SCHEMBL3730730 0.76 CHEK1 (0.38) AKT2CHEK1CHEK2PLK4PAK4
SCHEMBL4178231 0.76 CHEK1 (0.58) CHEK1CHEK2HTR2BHTR2CHTR1A

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.