SCHEMBL6803731

SCHEMBL6803731

O=C(Nc1cncn(C(C(=O)O)c2ccc(F)c(F)c2F)c1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
KDM4D Q6B0I6 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ABCB1 P08183 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6805321 0.82 IDO1 (0.47) IDO1TDO2KDM4DKDM4CHDAC1
SCHEMBL6803439 0.82 ALDH1A1 (0.47) IDO1TDO2KDM4DKDM4CHDAC1
SCHEMBL6805410 0.80 MAPT (0.46) IDO1TDO2HDAC1HDAC8HDAC6
SCHEMBL6802997 0.80 RAB9A (0.47) IDO1TDO2KDM4DKDM4CRAB9A
SCHEMBL6804093 0.78 CES2 (0.34)
SCHEMBL6805622 0.78 IDO1 (0.43) IDO1TDO2KDM4DKDM4CSMN1; SMN2
SCHEMBL6805808 0.78 SMN1; SMN2 (0.47) IDO1TDO2KDM4DKDM4CRAB9A
SCHEMBL6801198 0.77 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6800417 0.76 IDO1 (0.48) IDO1TDO2KDM4DKDM4CHDAC1
SCHEMBL6800431 0.76 ALDH1A1 (0.42) IDO1TDO2KDM4DKDM4CRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP claimed
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040063936-A1 Pyrimidine derivatives and process for preparing the same DPYD, NUDT1, UMPS IDO1 932/4885TDO2 2114/4885KDM4D 811/4885

“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.