SCHEMBL13055287

SCHEMBL13055287

O=c1[nH][nH]c2cc(NC3CCCC(Nc4ccccn4)C3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.39
▸ AR P10275 3/20 0.39
▸ IP6K1 Q92551 1/20 0.38
▸ ROCK2 O75116 3/20 0.36
▸ ROCK1 Q13464 3/20 0.36
▸ NOS2 P35228 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PARP14 Q460N5 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL13055309 0.96 NOS2 (0.36) ARIP6K1NOS2HDAC8HDAC6
SCHEMBL13055297 0.88 PARP14 (0.36) GRM5NOS2HDAC8HDAC6PARP14
SCHEMBL13055354 0.83 ROCK1 (0.43) GRM5ROCK1NOS2
SCHEMBL13055330 0.83 GRM5 (0.34) GRM5NOS2HDAC8HDAC6PARP14
SCHEMBL13055375 0.81 GRM5 (0.33) GRM5NOS2HDAC8HDAC6ALDH1A1
SCHEMBL13055286 0.80 AR (0.38) ARIP6K1ROCK2ROCK1ALDH1A1
SCHEMBL13055283 0.80 AR (0.41) ARIP6K1ALDH1A1
SCHEMBL13055289 0.80 AR (0.39) ARIP6K1ROCK2ROCK1ALDH1A1
SCHEMBL13055413 0.79 KDM4E (0.37) GRM5NOS2HDAC8HDAC6ALDH1A1
SCHEMBL13055365 0.79 NOS2 (0.38) GRM5ROCK1NOS2HDAC8HDAC6

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 GRM5 4371/4885AR 1297/4885IP6K1 131/4885

“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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