SCHEMBL324104

SCHEMBL324104

Cc1nc(N)c(S(=O)(=O)c2cccc3nsnc23)c(OC2CCNCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36

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 0.78 FFAR2 (0.59) FFAR2MAPT
SCHEMBL324106 0.72 KMT2A (0.42) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL324733 0.61 FFAR2 (0.46) FFAR2MAPT
SCHEMBL6017214 0.61 KMT2A (0.56) KMT2ARAB9AALDH1A1POLBMAPT
SCHEMBL4111126 0.60 ALDH1A1 (0.63) KMT2ARAB9AALDH1A1POLBMAPT
SCHEMBL12774648 0.60 ALDH1A1 (0.68) KMT2AALDH1A1POLBMAPTMEN1
SCHEMBL324734 0.60 KDM4E (0.44) FFAR2KMT2AALDH1A1POLBMEN1
SCHEMBL4431335 0.58 KMT2A (0.57) KMT2ARAB9AALDH1A1POLBMAPT
SCHEMBL83254 0.58 HRH1 (0.54)
SCHEMBL761217 0.58 ALDH1A1 (0.63) KMT2AALDH1A1POLBMAPTMEN1

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 4433/4885KMT2A 1034/4885RAB9A 2342/4885

“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.