SCHEMBL13055413

SCHEMBL13055413

O=c1[nH][nH]c2ccc(C3CCCC(Nc4ccccn4)C3)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ATAD2 Q6PL18 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
SCHEMBL13055425 0.94 NOS2 (0.35) KDM4ELMNAMAPK1HSD17B10TRPV1
SCHEMBL13055407 0.81 CDK2 (0.38) CCNE1CDK2PRMT5WDR77
SCHEMBL13055409 0.81 IRAK4 (0.33) FFAR4PRMT5WDR77BRD4ATAD2
SCHEMBL13055415 0.80 BRD4 (0.34) PRMT5WDR77BRD4ATAD2BTK
SCHEMBL13055287 0.79 GRM5 (0.39) GRM5NOS2HDAC8HDAC6ALDH1A1
SCHEMBL13055408 0.77 SMN1; SMN2 (0.34) TRPV1LCKALDH1A1SMN1; SMN2PRMT5
SCHEMBL13055419 0.77 CCNA2 (0.38) CDK2PRMT5WDR77
SCHEMBL13055354 0.76 ROCK1 (0.43) MAPK1GRM5NOS2
SCHEMBL13055330 0.75 GRM5 (0.34) GRM5CCNE1CDK2CDC7NOS2
SCHEMBL13055421 0.74 ITK (0.35) PRMT5WDR77BRD4BTK

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 KDM4E 1653/4885LMNA 3744/4885MAPK1 299/4885

“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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