SCHEMBL13055289

SCHEMBL13055289

O=c1[nH][nH]c2cc(NC3CCCC(Nc4nccnn4)C3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.39
▸ IP6K1 Q92551 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33
▸ DAO P14920 2/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ WEE1 P30291 1/20 0.31
▸ VRK1 Q99986 2/20 0.31
▸ PARP15 Q460N3 1/20 0.31

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
SCHEMBL13055311 0.96 IP6K1 (0.34) ARIP6K1KDM4EMEN1APAF1
SCHEMBL13055298 0.88 DAO (0.32) IP6K1DAOMETAP2VRK1
SCHEMBL13055355 0.84 ROCK1 (0.42) MAPK1BRD4ATAD2PARP15PARP10
SCHEMBL13055332 0.83 BRD4 (0.31) BRD4ATAD2
SCHEMBL13055376 0.81 PARP15 (0.50) BRD4ATAD2PARP15PARP10ROCK1
SCHEMBL13055696 0.80 JAK2 (0.32) VRK1PARP15PARP10
SCHEMBL13055287 0.80 GRM5 (0.39) ARIP6K1ALDH1A1ROCK2ROCK1
SCHEMBL13055415 0.79 BRD4 (0.34) BRD4ATAD2PARP15PARP10ROCK1
SCHEMBL13055366 0.79 ROCK1 (0.35) ARDAOMETAP2PARP15PARP10
SCHEMBL13055347 0.78 DAO (0.30) DAOMETAP2

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 AR 1297/4885IP6K1 131/4885KDM4E 1653/4885

“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.

Send feedback