SCHEMBL3228970

SCHEMBL3228970

Cc1ccc(N2CCOCC2)cc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
GAA P10253 2/20 0.56
PRKDC P78527 3/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
JAK2 O60674 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
JAK1 P23458 2/20 0.48
TYK2 P29597 2/20 0.48
JAK3 P52333 2/20 0.48
PARP1 P09874 1/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47

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
SCHEMBL3230406 0.88 PRKDC (0.58) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL4351617 0.86 PRKDC (0.59) MAPTPRKDCMEN1KMT2AJAK2
SCHEMBL3343696 0.86 IP6K1 (0.55) MAPTGAAMEN1KMT2AL3MBTL1
SCHEMBL31500318 0.85 MAPT (0.45) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL3224987 0.83 KMT2A (0.52) MAPTGAAMEN1KMT2AJAK2
SCHEMBL30760533 0.83 KMT2A (0.52) MAPTGAAMEN1KMT2AJAK2
SCHEMBL144733 0.83 LGMN (0.59) MAPTPRKDCJAK2JAK1TYK2
SCHEMBL552259 0.83 PRKDC (0.60) MAPTPRKDCJAK2JAK1TYK2
SCHEMBL824944 0.82 MAPT (0.53) MAPTGAAPRKDCMEN1KMT2A
SCHEMBL824738 0.82 MAPT (0.53) MAPTGAAPRKDCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105246884-B Urea derivative as kinase inhibitor 瑞斯比维特有限公司 2018-05-22 CN claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
CN-105246884-B Urea derivative as kinase inhibitor 瑞斯比维特有限公司 2018-05-22 CN disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2134689-A2 INHIBITORS OF FOCAL ADHESION KINASE The Scripps Research Institute (US) 2009-12-23 EP disclosed
EP-2132184-A1 NOVEL PYRIMIDINE DERIVATIVES 698 AstraZeneca AB (SE) 2009-12-16 EP disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
WO-2008115369-A2 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 WO disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 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 (2 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 MAPT 2598/4885GAA 3977/4885PRKDC 4720/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 MAPT 4385/4885GAA 2827/4885PRKDC 165/4885

“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.