SCHEMBL6803439

SCHEMBL6803439

O=C(Nc1cncn(C(C(=O)O)c2ccc(F)cc2)c1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 2/20 0.41
HDAC1 Q13547 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 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
SCHEMBL6805321 0.92 IDO1 (0.47) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL6802997 0.89 RAB9A (0.47) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL6805622 0.89 IDO1 (0.43) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL6805808 0.89 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL6799314 0.86 RAB9A (0.49) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL6803978 0.85 KMT2A (0.47) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL6803679 0.83 RAB9A (0.50) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6803731 0.82 IDO1 (0.41) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL6805953 0.82 IDO1 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL7294381 0.81 ELANE (0.47) ALDH1A1SMN1; SMN2POLBNPC1RAB9A

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 ALDH1A1 134/4885SMN1; SMN2 1296/4885POLB 1017/4885

“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.