SCHEMBL324767

SCHEMBL324767

CONc1nc(OC2CCNCC2)nc(S(=O)(=O)c2ccccc2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
HRH1 P35367 2/20 0.36
SGK1 O00141 1/20 0.35
MAPT P10636 2/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FFAR2 O15552 4/20 0.35
HTR6 P50406 3/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PIK3CA P42336 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL324766 0.71 DCK (0.38) HRH1FFAR2HTR6HTR1ASLC6A2
SCHEMBL324733 0.69 FFAR2 (0.46) HRH1MAPTFFAR2
SCHEMBL4649415 0.64 ROCK1 (0.46) HRH1HTR6HTR1A
SCHEMBL324732 0.62 FFAR2 (0.59) MAPTFFAR2
SCHEMBL3551530 0.62 HRH1 (0.46) HRH1HTR6
SCHEMBL4648947 0.62 HTR6 (0.58) HRH1HTR6HTR1ASLC6A2SLC6A3
SCHEMBL942374 0.60 HRH1 (0.51) HRH1HTR1ASLC6A2SYK
SCHEMBL4616681 0.58 SFRP1 (0.70) WNT3SFRP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4637123 0.58 SFRP1 (0.65) WNT3SFRP1MAPK1NPSR1HTR6
SCHEMBL1189965 0.58 HTR6 (0.46) MAPTHTR6PIK3CAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093246-B2 potent deoxycytidine kinase inhibitors; O-linked pyrimidin-4-amine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-06-19 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-20080146571-A1 O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER DPYD, DHFR, TYMP WNT3 2481/4885SFRP1 3418/4885HRH1 3170/4885

“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.