SCHEMBL13055375

SCHEMBL13055375

O=c1[nH][nH]c2cc(C3(C4CCCC(Nc5ccccn5)C4)CC3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ NOS2 P35228 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ PIM1 P11309 4/20 0.31
▸ KDM5A P29375 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PARP15 Q460N3 1/20 0.30
▸ PARP10 Q53GL7 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
SCHEMBL13055287 0.81 GRM5 (0.39) GRM5ALDH1A1HDAC8HDAC6NOS2
SCHEMBL13055330 0.79 GRM5 (0.34) GRM5ALDH1A1HDAC8HDAC6NOS2
SCHEMBL13055354 0.78 ROCK1 (0.43) GRM5NOS2PARP15PARP10
SCHEMBL13055309 0.77 NOS2 (0.36) HDAC8HDAC6NOS2METAP2F11
SCHEMBL13055365 0.73 NOS2 (0.38) GRM5HDAC8HDAC6NOS2PARP15
SCHEMBL13055413 0.73 KDM4E (0.37) GRM5ALDH1A1HDAC8HDAC6NOS2
SCHEMBL13055390 0.71 NOS2 (0.34) ALDH1A1HDAC8HDAC6NOS2CCNE1
SCHEMBL13055297 0.70 PARP14 (0.36) GRM5HDAC8HDAC6NOS2METAP2
SCHEMBL13055425 0.69 NOS2 (0.35) HDAC8HDAC6NOS2CCNE1CDK2
SCHEMBL13055336 0.69 PARP14 (0.34) GRM5HDAC8HDAC6NOS2

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 4371/4885ALDH1A1 4243/4885HTT 4447/4885

“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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