SCHEMBL4174008

SCHEMBL4174008

O=c1[nH]cc(I)c(=O)n1Cc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.36
KMT2A Q03164 1/20 0.35
DAO P14920 1/20 0.34
ROCK2 O75116 2/20 0.34
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
EPHX2 P34913 1/20 0.32
PPARG P37231 1/20 0.32
PARG Q86W56 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL4156287 0.84 KMT2A (0.48) KMT2A
SCHEMBL4171464 0.72 ALDH1A1 (0.43) KMT2AGRIN1GRIN2BIDO1
SCHEMBL20874815 0.66 GRIN1 (0.56) GRIN1GRIN2B
SCHEMBL5347308 0.66 KMT2A (0.44) DBHKMT2ADAO
SCHEMBL17395451 0.61 PIM1 (0.39)
SCHEMBL4163334 0.61 ALDH1A1 (0.50) KMT2A
SCHEMBL20874771 0.60 GRIN1 (0.56) GRIN1GRIN2B
SCHEMBL4763627 0.59 MEN1 (0.44) KMT2AGRIN1GRIN2BPARG
SCHEMBL31198448 0.59 KMT2A (0.48) KMT2A
SCHEMBL1170030 0.58 LMNA (0.63) KMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2009-06-11 US disclosed
US-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2009-06-11 US disclosed
US-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2009-06-11 US disclosed
WO-2007122634-A2 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2007-11-01 WO 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-20090149485-A1 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS TK1, LCK, FYN DBH 3036/4885KMT2A 2499/4885DAO 1019/4885

“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.