SCHEMBL13659507

SCHEMBL13659507

Cc1ncc2cc[nH]c(=O)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ MELK Q14680 1/20 0.43
▸ STK24 Q9Y6E0 1/20 0.43
▸ CHEK1 O14757 1/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ PDPK1 O15530 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AXL P30530 1/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32

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
SCHEMBL23942099 0.73 AHR (0.41) KMT2AAXLNUDT1ADORA2AADORA1
SCHEMBL13659491 0.72 CHEK1 (0.47) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL11898184 0.70 JAK2 (0.50) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL22744001 0.69 PARP1 (0.37) JAK2RPS6KA3MELKSTK24PARP1
SCHEMBL23137414 0.69 CHEK1 (0.49) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL4243560 0.69 CHEK1 (0.41) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL14626390 0.69 HPGD (0.36) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL13659576 0.69 PARP1 (0.50) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL13662688 0.68 JAK2 (0.34) JAK2RPS6KA3MELKSTK24CHEK1
SCHEMBL10525022 0.68 PARP1 (0.44) JAK2RPS6KA3MELKSTK24CHEK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 — — 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A JAK2 1085/4885RPS6KA3 1455/4885MELK 789/4885

“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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