SCHEMBL13055421

SCHEMBL13055421

Cn1cnc(NC2CCC(c3ccc4[nH][nH]c(=O)c4c3)C2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.35
▸ BRD4 O60885 3/20 0.32
▸ MAPK7 Q13164 3/20 0.32
▸ IRAK4 Q9NWZ3 4/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ PIM1 P11309 2/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PAK4 O96013 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ RET P07949 1/20 0.31

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
SCHEMBL13055409 0.94 IRAK4 (0.33) ITKBRD4IRAK4TLR9TLR8
SCHEMBL13055425 0.80 NOS2 (0.35) —
SCHEMBL13055308 0.79 ITK (0.36) ITKBRD4MAPK7PAK4
SCHEMBL13055419 0.78 CCNA2 (0.38) PAK4CDK7PRMT5WDR77
SCHEMBL13055364 0.76 ROCK1 (0.36) ITKBRD4MAPK7ROCK1PRMT5
SCHEMBL13055420 0.76 SMN1; SMN2 (0.33) ITKIRAK4LRRK2PIM1CHEK1
SCHEMBL13055286 0.76 AR (0.38) ITKPRKCQROCK1
SCHEMBL13055344 0.75 ITK (0.34) ITKBRD4MAPK7
SCHEMBL13055427 0.75 AURKA (0.32) LRRK2PIM1CHEK1AURKADAPK3
SCHEMBL13055407 0.74 CDK2 (0.38) CDK9CDK5PRMT5WDR77

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 ITK 187/4885BRD4 829/4885MAPK7 280/4885

“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.

Send feedback