SCHEMBL13055408

SCHEMBL13055408

Cc1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ LCK P06239 2/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.30
▸ ITK Q08881 2/20 0.30
▸ SETD2 Q9BYW2 1/20 0.30
▸ AURKB Q96GD4 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
SCHEMBL13055420 0.94 SMN1; SMN2 (0.33) SMN1; SMN2MEN1KMT2ALCKMAPK14
SCHEMBL13055285 0.80 AR (0.38) SMN1; SMN2MEN1KMT2ABRD4ATAD2
SCHEMBL13055352 0.77 ROCK1 (0.43) SMN1; SMN2MEN1KMT2ALCKMAPK14
SCHEMBL13055413 0.77 KDM4E (0.37) SMN1; SMN2BRD4ATAD2LCKPRMT5
SCHEMBL13055409 0.77 IRAK4 (0.33) BRD4ATAD2PRMT5WDR77ITK
SCHEMBL13055325 0.76 KMT2A (0.33) SMN1; SMN2MEN1KMT2ABRD4ATAD2
SCHEMBL13055371 0.76 MEN1 (0.35) SMN1; SMN2MEN1KMT2ALCKMAPK14
SCHEMBL13055415 0.76 BRD4 (0.34) BRD4ATAD2MAPK14PRMT5WDR77
SCHEMBL13055306 0.76 SMN1; SMN2 (0.34) SMN1; SMN2MEN1KMT2ALCKMAPK14
SCHEMBL13055407 0.75 CDK2 (0.38) PRMT5WDR77

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 SMN1; SMN2 2811/4885MEN1 1366/4885KMT2A 762/4885

“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.

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