SCHEMBL324733

SCHEMBL324733

Cc1nc(OC2CCNCC2)nc(N)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 16/20 0.46
HRH1 P35367 1/20 0.40
MAPT P10636 2/20 0.38

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
SCHEMBL324732 0.82 FFAR2 (0.59) FFAR2MAPT
SCHEMBL324734 0.71 KDM4E (0.44) FFAR2HRH1
SCHEMBL324767 0.69 WNT3 (0.37) FFAR2HRH1MAPT
SCHEMBL324766 0.68 DCK (0.38) FFAR2HRH1
SCHEMBL4648947 0.65 HTR6 (0.58) HRH1
SCHEMBL4649415 0.65 ROCK1 (0.46) HRH1
SCHEMBL30576193 0.64 CHRNB2 (0.42) HRH1
SCHEMBL30775428 0.64 HRH1 (0.43) HRH1
SCHEMBL15174484 0.64 RAPGEF4 (0.57) HRH1MAPT
Hydrochloric Acid SCHEMBL30576198 0.64 CHRNB2 (0.41) HRH1

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 FFAR2 4433/4885HRH1 3170/4885MAPT 2750/4885

“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.