SCHEMBL12430680

SCHEMBL12430680

N#CCc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.73
NTRK1 P04629 2/20 0.66
IGF1R P08069 2/20 0.65
GSK3B P49841 4/20 0.64
AKT1 P31749 1/20 0.64
TGFBR1 P36897 1/20 0.64
GSK3A P49840 1/20 0.64
STK4 Q13043 1/20 0.64
STK3 Q13188 1/20 0.64
BMPR2 Q13873 1/20 0.64
STK26 Q9P289 1/20 0.64
STK24 Q9Y6E0 1/20 0.64
PDK1 Q15118 1/20 0.59
ULK2 Q8IYT8 1/20 0.59
SRC P12931 3/20 0.58
CCNA2 P20248 2/20 0.58
CDK2 P24941 2/20 0.58
NTRK3 Q16288 1/20 0.57
NTRK2 Q16620 1/20 0.57
AURKA O14965 1/20 0.53

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
SCHEMBL30770809 1.00 ULK1 (0.73) ULK1NTRK1IGF1RGSK3BAKT1
SCHEMBL31471822 0.88 ULK1 (0.77) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL12430674 0.88 ULK1 (0.77) ULK1NTRK1IGF1RGSK3BSTK3
SCHEMBL31471779 0.87 ULK1 (0.86) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL12430667 0.87 ULK1 (0.86) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL12430676 0.86 ULK1 (0.74) ULK1NTRK1IGF1RGSK3BSTK3
SCHEMBL12430675 0.86 ULK1 (0.74) ULK1NTRK1IGF1RGSK3BSTK3
SCHEMBL31471925 0.85 ULK1 (0.73) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL12430688 0.85 ULK1 (0.73) ULK1NTRK1IGF1RGSK3BPDK1
SCHEMBL31471748 0.85 AURKA (0.74) NTRK1GSK3BGSK3ASRCNTRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
WO-2020118183-A1 2,4-DIAMINOPYRIMIDINE BICYCLES FOR TREATING CANCER KAPOOR TARUN M (US) 2020-06-11 WO disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-7982037-B2 (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-19 US disclosed
US-7982037-B2 (5-Methyl-2H-pyrazol-3-yl)-(2-phenylsulfanyl-quinazolin-4-yl)-amine; Anticancer agents; antidiabetic agents; Alzheimer's disease; inhibitors of Aurora-2 and GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-19 US disclosed
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-17 US disclosed
US-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-17 US disclosed
US-7625913-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-01 US disclosed
US-7625913-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-01 US disclosed
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 US disclosed
US-7531536-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-12 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-20090312543-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, AURKC, AURKA ULK1 965/4885NTRK1 2111/4885IGF1R 467/4885

“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.