SCHEMBL12430747

SCHEMBL12430747

Cc1cc(Nc2nc(Nc3nc4ccccc4[nH]3)nc3c2CCN(Cc2ccccc2)C3)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.49
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AURKA O14965 4/20 0.42
GSK3B P49841 2/20 0.42
SRC P12931 1/20 0.42
NTRK1 P04629 8/20 0.42
AURKB Q96GD4 2/20 0.41
PAK4 O96013 2/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL12430750 0.94 MAPT (0.44) IGF1RMAPTGAAGFERTDP1
SCHEMBL2202764 0.88 MAPT (0.45) IGF1RMAPTGAAGFERTDP1
SCHEMBL12430748 0.86 IGF1R (0.54) IGF1RMAPTL3MBTL1AURKAGSK3B
SCHEMBL2203577 0.81 MAPT (0.45) MAPTGAAGFERTDP1L3MBTL1
SCHEMBL10149997 0.80 IGF1R (0.53) IGF1RAURKAGSK3BSRCAURKB
SCHEMBL12430751 0.80 AURKA (0.53) IGF1RMAPTAURKAGSK3BSRC
SCHEMBL13054504 0.79 IGF1R (0.46) IGF1RAURKAGSK3BSRCNTRK1
SCHEMBL10186377 0.78 IGF1R (0.49) IGF1RMAPTAURKAGSK3BSRC
SCHEMBL10149993 0.77 AURKA (0.51) IGF1RAURKAGSK3BSRCNTRK1
SCHEMBL12430749 0.77 NTRK1 (0.49) IGF1RMAPTAURKAGSK3BSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 IGF1R 467/4885MAPT 198/4885GAA 3749/4885

“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.