Sugi Predict

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SCHEMBL13054852

SCHEMBL13054852

COCCNc1cc(Nc2cc(C)[nH]n2)nc(SCc2ccc3[nH][nH]c(=O)c3c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 13/20 0.43
▸ NTRK1 P04629 2/20 0.43
▸ SYK P43405 2/20 0.36
▸ HDAC1 Q13547 2/20 0.34
▸ CXCR2 P25025 1/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ AURKB Q96GD4 3/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ RAB29 O14966 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ YES1 P07947 1/20 0.33
▸ LYN P07948 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
SCHEMBL13054619 0.93 AURKA (0.43) AURKANTRK1SYKHDAC1CXCR2
SCHEMBL12430824 0.80 PAK4 (0.45) AURKANTRK1CXCR2CYP3A4CYP2D6
SCHEMBL13054851 0.79 AURKA (0.61) AURKANTRK1AURKBPLK4
SCHEMBL13054785 0.79 PIK3C3 (0.46) AURKASYKCYP3A4CYP2D6AURKB
SCHEMBL12510638 0.74 AURKA (0.51) AURKANTRK1AURKB
SCHEMBL12430832 0.74 AURKA (0.47) AURKANTRK1AURKB
SCHEMBL13054636 0.73 AURKA (0.62) AURKANTRK1SYKCYP3A4AURKB
SCHEMBL13054657 0.71 AURKB (0.44) AURKAAURKBSRC
SCHEMBL13054705 0.70 AURKB (0.44) AURKANTRK1AURKBSRC
SCHEMBL13945036 0.69 ITK (0.57) AURKACYP3A4CYP2D6AURKBJAK2

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 10/4885NTRK1 1279/4885SYK 50/4885

“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.