Sugi Predict

Sugi Predict / Compounds / SCHEMBL13054863

SCHEMBL13054863

SCHEMBL13054863

COCc1cc(Nc2cc(C)[nH]n2)nc(COc2ccc3[nH][nH]c(=O)c3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.41
▸ PIK3C3 Q8NEB9 4/20 0.36
▸ AURKA O14965 8/20 0.35
▸ AURKB Q96GD4 4/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ RET P07949 2/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ RAB29 O14966 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ YES1 P07947 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ SRC P12931 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
SCHEMBL13054861 0.92 AURKA (0.39) SYKPIK3C3AURKAAURKBGSK3B
SCHEMBL13054918 0.89 PIK3C3 (0.44) SYKPIK3C3AURKAAURKBGSK3B
SCHEMBL12430972 0.81 PIK3C3 (0.41) PIK3C3AURKAGSK3BRETPLK4
SCHEMBL13054807 0.78 IGF1R (0.44) SYKAURKAAURKBPLK4MAPT
SCHEMBL13054803 0.77 IGF1R (0.46) SYKAURKAAURKBPLK4MAPT
SCHEMBL13054529 0.77 AURKA (0.42) SYKPIK3C3AURKAAURKB
SCHEMBL13054867 0.74 IGF1R (0.44) PIK3C3AURKBRETMAPTCYP1A2
SCHEMBL13054856 0.73 AURKB (0.40) SYKAURKAAURKBGSK3BSRC
SCHEMBL12430967 0.72 AURKA (0.43) AURKAAURKBRETPLK4ALDH1A1
SCHEMBL13055172 0.72 RET (0.40) AURKAAURKBGSK3BRETSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — 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-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 SYK 50/4885PIK3C3 220/4885AURKA 10/4885

“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.