SCHEMBL13639120

SCHEMBL13639120

Cc1cc(Nc2nc(NCc3cccnc3)nc(Nc3ccc(NS)cc3)n2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.51
FGFR1 P11362 4/20 0.51
KDR P35968 4/20 0.51
INSR P06213 1/20 0.51
PAK4 O96013 6/20 0.49
AURKA O14965 3/20 0.49
AURKB Q96GD4 2/20 0.49
GSK3B P49841 2/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
ABL1 P00519 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
PDGFRB P09619 1/20 0.49
FLT1 P17948 1/20 0.49
LTK P29376 1/20 0.49
FLT3 P36888 1/20 0.49
MAPK8 P45983 1/20 0.49

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
SCHEMBL13639073 0.92 AURKA (0.53) IGF1RFGFR1KDRINSRPAK4
SCHEMBL5480736 0.88 IGF1R (0.55) IGF1RFGFR1KDRINSRPAK4
SCHEMBL5483796 0.87 ALDH1A1 (0.50) IGF1RFGFR1KDRINSRPAK4
SCHEMBL4827807 0.81 IGF1R (0.60) IGF1RFGFR1KDRINSRPAK4
SCHEMBL4833731 0.79 AURKA (0.51) IGF1RFGFR1KDRINSRPAK4
SCHEMBL12431094 0.78 IGF1R (0.54) IGF1RFGFR1KDRINSRPAK4
SCHEMBL4035128 0.78 IGF1R (0.61) IGF1RFGFR1KDRINSRPAK4
SCHEMBL13636059 0.77 IGF1R (0.53) IGF1RFGFR1KDRINSRPAK4
SCHEMBL10312109 0.76 PLK4 (0.50) IGF1RFGFR1KDRINSRPAK4
SCHEMBL10312189 0.76 PAK4 (0.51) IGF1RFGFR1KDRINSRPAK4

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-8304414-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-06 US disclosed
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 US disclosed
US-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 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-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 IGF1R 781/4885FGFR1 1039/4885KDR 2394/4885

“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.