Sugi Predict

Sugi Predict / Compounds / SCHEMBL13054870

SCHEMBL13054870

SCHEMBL13054870

CCc1cc(Nc2cc(C)[nH]n2)nc(C(C)(C)c2ccc3c(=O)[nH][nH]c3c2)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 11/20 0.36
▸ AURKB Q96GD4 10/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ SYK P43405 2/20 0.33
▸ NTRK1 P04629 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ NTRK3 Q16288 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ PLK4 O00444 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32

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
SCHEMBL13054873 0.88 AURKA (0.38) AURKAAURKBDHODHSYKGSK3A
SCHEMBL13054535 0.80 PIK3C3 (0.42) AURKAAURKBPLK4PAK4GSK3B
SCHEMBL4421488 0.80 ITK (0.44) AURKAAURKBDHODHNTRK1CYP3A4
SCHEMBL13054826 0.76 IGF1R (0.49) AURKAAURKBSYKNTRK1
SCHEMBL13054877 0.75 AURKA (0.36) AURKAAURKBCYP1A2CYP3A4CYP2D6
SCHEMBL13055172 0.75 RET (0.40) AURKAAURKBGSK3AGSK3B
SCHEMBL13097638 0.72 DHODH (0.48) AURKAAURKBDHODHSYKNTRK1
SCHEMBL13054856 0.72 AURKB (0.40) AURKAAURKBSYKGSK3B
SCHEMBL13054861 0.72 AURKA (0.39) AURKAAURKBSYKCYP1A2CYP3A4
SCHEMBL4428986 0.72 ITK (0.42) AURKAAURKBDHODHNTRK1CYP3A4

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 AURKA 10/4885AURKB 18/4885DHODH 3460/4885

“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.