SCHEMBL4171496

SCHEMBL4171496

O=c1[nH]cc(I)c(=O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.50
▸ SRC P12931 2/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ PRKACG P22612 1/20 0.48
▸ PRKACB P22694 1/20 0.48
▸ NOX4 Q9NPH5 1/20 0.48
▸ KMT2A Q03164 4/20 0.46
▸ DBH P09172 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PDE5A O76074 1/20 0.40

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
SCHEMBL28676104 0.83 P2RX4 (0.50) P2RX4SRCPRKACAPRKACGPRKACB
SCHEMBL4156287 0.80 KMT2A (0.48) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL27335737 0.76 KDM4E (0.51) P2RX4KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4168879 0.75 P2RX4 (0.45) P2RX4SRCPRKACAPRKACGPRKACB
SCHEMBL4160886 0.75 P2RX4 (0.45) P2RX4SRCPRKACAPRKACGPRKACB
SCHEMBL13813021 0.74 P2RX4 (0.41) P2RX4SRCPRKACAPRKACGPRKACB
SCHEMBL5797007 0.72 CFTR (0.50) P2RX4KMT2AMEN1SMN1; SMN2CFTR
SCHEMBL4174008 0.71 DBH (0.36) KMT2ADBHIDO1
SCHEMBL5797218 0.70 DHFR (0.48) P2RX4SRCPRKACAPRKACGPRKACB
SCHEMBL25792230 0.70 KCNJ1 (0.48) P2RX4KMT2AMEN1L3MBTL1

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 5 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
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 P2RX4 865/4885SRC 21/4885PRKACA 86/4885

“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.

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