SCHEMBL324106

SCHEMBL324106

Cc1ccc2nsnc2c1S(=O)(=O)c1cnc(OC2CCNCC2)nc1N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 6/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
PTK2B Q14289 1/20 0.35
PKM P14618 1/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 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
SCHEMBL324734 0.78 KDM4E (0.44) KMT2AMEN1ALDH1A1HPGD
SCHEMBL324104 0.72 FFAR2 (0.43) KMT2AMEN1LMNATSHRALDH1A1
SCHEMBL325180 0.67 IRAK4 (0.36)
SCHEMBL312481 0.63 DCK (0.47)
SCHEMBL324733 0.63 FFAR2 (0.46) MAPT
SCHEMBL17151559 0.63 IRAK4 (0.41)
SCHEMBL2988257 0.60 HSD17B10 (0.63) KMT2AMEN1LMNAHSD17B10TSHR
SCHEMBL1075335 0.60 HSD17B10 (0.63) KMT2AMEN1LMNAHSD17B10TSHR
SCHEMBL324611 0.60 DCK (0.43)
SCHEMBL29003859 0.60 HRH1 (0.43)

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 KMT2A 1034/4885MEN1 1557/4885LMNA 3801/4885

“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.