SCHEMBL4140673

SCHEMBL4140673

O=C1c2c(O)c(=O)nc(CN3CCOCC3)n2CCN1Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
GRM2 Q14416 2/20 0.44
KCNH2 Q12809 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CLPP Q16740 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
KMT2A Q03164 3/20 0.38
ALOX5 P09917 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4161826 0.89 KCNH2 (0.45) GRM2KCNH2RAB9ACLPPALDH1A1
SCHEMBL4153402 0.81 KCNH2 (0.45) GRM2KCNH2RAB9ACLPPALDH1A1
SCHEMBL4144321 0.81 GRM2 (0.45) GRM2KCNH2RAB9ANPC1CLPP
SCHEMBL4153055 0.80 GRM2 (0.51) GRM2KCNH2RAB9ACLPPALDH1A1
SCHEMBL15866997 0.79 CLPP (0.42) GRM2KCNH2CLPPALDH1A1SMN1; SMN2
SCHEMBL4153119 0.78 KCNH2 (0.42) GRM2KCNH2RAB9ACLPPALDH1A1
SCHEMBL5998353 0.77 KCNH2 (0.45) GRM2KCNH2RAB9ANPC1CLPP
SCHEMBL14260043 0.76 KCNH2 (0.47) GRM2KCNH2CLPPSMN1; SMN2KMT2A
SCHEMBL4682670 0.75 P2RX7 (0.43) GRM2KCNH2RAB9ANPC1ALDH1A1
SCHEMBL2900361 0.75 GAA (0.37) GAAGRM2KCNH2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US claimed
US-9045486-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2015-06-02 US disclosed
US-9045486-B2 Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease SAVIRA PHARMACEUTICALS GMBH (AT) 2015-06-02 US disclosed
WO-2014108406-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-17 WO disclosed
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-10 US disclosed
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2014-07-10 US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 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 (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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP GAA 912/4885GRM2 3168/4885KCNH2 666/4885
US-20140194431-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE TPMT, XDH, DPYD GAA 271/4885GRM2 1314/4885KCNH2 4450/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR GAA 1323/4885GRM2 3764/4885KCNH2 722/4885

“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.