SCHEMBL6208048

SCHEMBL6208048

CC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.57
SRC P12931 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.50
GABRP O00591 4/20 0.41
GABRD O14764 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB1 P18505 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA2 P47869 4/20 0.41
GABRB2 P47870 4/20 0.41
GABRA4 P48169 4/20 0.41
GABRE P78334 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRG1 Q8N1C3 4/20 0.41
GABRG3 Q99928 4/20 0.41
GABRQ Q9UN88 4/20 0.41
MAPK1 P28482 1/20 0.38

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
SCHEMBL1180138 0.86 SRC (0.45) KDRSRCL3MBTL1GABRPGABRD
SCHEMBL13306147 0.86 SRC (0.45) KDRSRCL3MBTL1GABRPGABRD
SCHEMBL2349535 0.82 SRC (0.40) KDRSRCL3MBTL1RIPK2RET
SCHEMBL6402245 0.80 EPHB4 (0.50) KDRSRCRIPK2
SCHEMBL6209806 0.78 GABRP (0.61) KDRSRCL3MBTL1GABRPGABRD
SCHEMBL6208684 0.78 SRC (0.57) KDRSRCL3MBTL1GABRPGABRD
SCHEMBL7965709 0.76 SRC (0.58) KDRSRCL3MBTL1GABRPGABRD
SCHEMBL6209612 0.76 SRC (0.57) KDRSRCL3MBTL1GABRPGABRD
SCHEMBL6643239 0.75 GABRP (0.49) KDRSRCL3MBTL1GABRPGABRD
SCHEMBL6208512 0.75 KDR (0.56) KDRSRCL3MBTL1GABRPGABRD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 US disclosed
US-7605175-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH AG (DE) 2009-10-20 US disclosed
US-7605175-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH AG (DE) 2009-10-20 US disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 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
US-20040248905-A1 6-Substituted pyrazolo [3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-12-09 US 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 (3 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-20040248905-A1 6-Substituted pyrazolo [3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors CDK4, CDK2, CDK3 KDR 1261/4885SRC 545/4885L3MBTL1 3641/4885
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI KDR 2825/4885SRC 563/4885L3MBTL1 2654/4885
US-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors CCNK, CCNI, CDK1 KDR 2834/4885SRC 1160/4885L3MBTL1 4277/4885

“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.