SCHEMBL3762094

SCHEMBL3762094

O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(C5CC5)n[nH]4)cc(Oc4ccccc4)n3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.33
BTK Q06187 1/20 0.32
PDK1 Q15118 1/20 0.32
ULK2 Q8IYT8 1/20 0.32
NEK1 Q96PY6 1/20 0.31
IGF1R P08069 4/20 0.31
VRK1 Q99986 2/20 0.31
PIK3CA P42336 1/20 0.30
NUDT1 P36639 1/20 0.30

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
SCHEMBL3763605 0.86 SYK (0.40) ULK1PDK1ULK2NEK1IGF1R
SCHEMBL3766099 0.83 IGF1R (0.43) IGF1R
SCHEMBL3765854 0.82 ABL1 (0.36) ULK1IGF1RVRK1
SCHEMBL3763620 0.81 PDE4B (0.37) ULK1PDK1ULK2VRK1
SCHEMBL3767353 0.80 ULK1 (0.47) ULK1PDK1ULK2
SCHEMBL3763985 0.79 DAO (0.36) VRK1
SCHEMBL3767838 0.79 VRK1 (0.39) IGF1RVRK1
SCHEMBL3760929 0.78 MAPT (0.37) IGF1RVRK1
SCHEMBL13055842 0.78 VRK1 (0.39) IGF1RVRK1
SCHEMBL3763574 0.77 VRK1 (0.38) IGF1RVRK1

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 10 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-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-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
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-20040167121-A1 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 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 (2 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-20040167121-A1 Indazolinone compositions useful as kinase inhibitors LCK, CDK2, CILK1 ULK1 575/4885BTK 35/4885PDK1 426/4885
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 ULK1 585/4885BTK 35/4885PDK1 422/4885

“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.