SCHEMBL13055309

SCHEMBL13055309

O=c1[nH][nH]c2cc(NC3CCC(Nc4ccccn4)C3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PARP14 Q460N5 1/20 0.36
▸ IP6K1 Q92551 1/20 0.35
▸ APAF1 O14727 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ SUV39H2 Q9H5I1 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ DAO P14920 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ AR P10275 2/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.34

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
SCHEMBL13055287 0.96 GRM5 (0.39) NOS2HDAC8HDAC6PARP14IP6K1
SCHEMBL13055297 0.90 PARP14 (0.36) NOS2HDAC8HDAC6PARP14APAF1
SCHEMBL13055365 0.83 NOS2 (0.38) NOS2HDAC8HDAC6
SCHEMBL13055390 0.80 NOS2 (0.34) NOS2HDAC8HDAC6APAF1TDP2
SCHEMBL13055308 0.79 ITK (0.36) PARP14IP6K1DAOMETAP2AR
SCHEMBL13055354 0.79 ROCK1 (0.43) NOS2
SCHEMBL13055311 0.79 IP6K1 (0.34) IP6K1APAF1DAOMETAP2AR
SCHEMBL13055330 0.78 GRM5 (0.34) NOS2HDAC8HDAC6PARP14KDM5A
SCHEMBL13055303 0.78 CCNA2 (0.38) AR
SCHEMBL13055425 0.78 NOS2 (0.35) NOS2HDAC8HDAC6APAF1TDP2

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 NOS2 1105/4885HDAC8 1832/4885HDAC6 1015/4885

“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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