SCHEMBL6208424

SCHEMBL6208424

CCOC(=O)Cc1ccc2[nH]nc(N)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.46
▸ JAK2 O60674 7/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ JAK1 P23458 3/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CHEK1 O14757 1/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41

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
SCHEMBL9485336 0.84 SMN1; SMN2 (0.45) NTRK1SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL11749690 0.78 HCRTR1 (0.58) JAK2SMN1; SMN2ALDH1A1KDM4EJAK1
SCHEMBL9701422 0.77 NTRK1 (0.37) NTRK1SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL1696402 0.76 JAK2 (0.55) NTRK1JAK2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12984211 0.75 F2 (0.42) NTRK1SMN1; SMN2ALDH1A1NPC1PKM
SCHEMBL6763567 0.74 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1NPC1PKMNFKB1
SCHEMBL1179094 0.74 ERN1 (0.50) NTRK1JAK2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL117253 0.74 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1NPC1PKMNFKB1
SCHEMBL16179496 0.74 DHODH (0.53) JAK2SMN1; SMN2NPC1PKMNFKB1
SCHEMBL118588 0.73 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4ENPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383769-A4 6-SUBSTITUTED PYRAZOLO 3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-03 — — EP disclosed
EP-1121363-B1 6-SUBSTITUTED PYRAZOLO(3,4-d)PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-12-22 — — EP disclosed
EP-1383769-A2 6-SUBSTITUTED PYRAZOLO 3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2004-01-28 — — EP disclosed
US-6559152-B2 For therapy of cancer or other proliferative diseases DUPONT PHARMACEUTICALS COMPANY 2003-05-06 — — US disclosed
US-6531477-B1 Treating cancer or other proliferative diseases DUPONT PHARMACEUTICALS COMPANY 2003-03-11 — — US disclosed
WO-2002067654-A3 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-10-31 — — WO disclosed
WO-2002067654-A2 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-09-06 — — WO disclosed
US-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 — — US disclosed
EP-1121363-A2 6-SUBSTITUTED PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-08-08 — — EP disclosed
WO-2000021926-A2 6-SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-04-20 — — WO 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-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors CCNK, CCNI, CDK1 NTRK1 2941/4885JAK2 512/4885SMN1; SMN2 3617/4885

“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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