SCHEMBL6803430

SCHEMBL6803430

O=C(O)Cn1c(-c2ccc(F)cc2)ncc(NC(=O)c2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ELANE P08246 8/20 0.49
KDM4E B2RXH2 3/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.47
MAPT P10636 1/20 0.47
HDAC2 Q92769 1/20 0.46
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CASP1 P29466 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6240894 0.92 ELANE (0.51) ALDH1A1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL6805801 0.90 RAB9A (0.53) ALDH1A1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL6805612 0.89 HDAC2 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2ELANE
SCHEMBL6802993 0.89 RAB9A (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2ELANE
SCHEMBL6799310 0.86 RAB9A (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2ELANE
SCHEMBL6803975 0.85 ELANE (0.51) ALDH1A1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL6240974 0.84 RAB9A (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2ELANE
SCHEMBL6803676 0.84 RAB9A (0.52) NPC1RAB9ASMN1; SMN2ELANEHDAC2
SCHEMBL6557728 0.82 ELANE (0.70) ELANE
SCHEMBL6805949 0.82 CASP1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2ELANE

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 134/4885NPC1 1638/4885POLB 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.