SCHEMBL10275515

SCHEMBL10275515

CCCN(CCC)S(=O)(=O)c1ccc(-c2cc(=O)n3nc(C)c(-c4ccc(F)cc4F)cc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.36
ADORA2B P29275 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
ABCC2 Q92887 1/20 0.32

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
SCHEMBL10276131 0.83 RAD51 (0.38) RAB9ANPC1LMNAMAPTADORA2B
SCHEMBL10275732 0.80 ALDH1A1 (0.43) RAB9ANPC1MEN1LMNAKMT2A
SCHEMBL10276300 0.78 RAD51 (0.43) RAB9ANPC1MEN1LMNAKMT2A
SCHEMBL10275658 0.78 HPGD (0.46) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10275338 0.78 AR (0.43) RAB9ANPC1MEN1LMNAKMT2A
SCHEMBL10275579 0.77 MEN1 (0.37) RAB9AMEN1LMNAKMT2AMAPT
SCHEMBL10313566 0.77 PTGS2 (0.37) RAB9AMEN1LMNAKMT2AADORA2B
SCHEMBL10313540 0.74 AR (0.42) RAB9ANPC1MEN1LMNAKMT2A
SCHEMBL10275987 0.72 LMNA (0.36) RAB9AMEN1LMNAKMT2AADORA2B
SCHEMBL10275898 0.72 ADORA2B (0.39) RAB9AMEN1LMNAKMT2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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 (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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 RAB9A 3784/4885NPC1 1381/4885MEN1 4229/4885

“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.