SCHEMBL4724436

SCHEMBL4724436

O=C(c1ccc([N+](=O)[O-])cc1)N1CCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.75
MEN1 O00255 2/20 0.75
POLB P06746 1/20 0.75
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA7 P43166 1/20 0.68
CA9 Q16790 1/20 0.68
CA14 Q9ULX7 1/20 0.68
RXFP1 Q9HBX9 1/20 0.65
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 2/20 0.60
HSD11B1 P28845 1/20 0.59
MGLL Q99685 1/20 0.59
LMNA P02545 1/20 0.59
EPHX2 P34913 1/20 0.59
HTT P42858 1/20 0.58
MAPT P10636 1/20 0.58
NPC1 O15118 1/20 0.57

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
SCHEMBL1877246 0.96 KMT2A (0.80) KMT2AMEN1POLBCA12CA1
SCHEMBL1590712 0.95 KMT2A (0.83) KMT2AMEN1POLBCA12CA1
SCHEMBL9152022 0.93 CA12 (0.77) KMT2AMEN1POLBCA12CA1
SCHEMBL4039721 0.89 KMT2A (0.65) KMT2AMEN1POLBCA12CA1
SCHEMBL27971693 0.88 CA12 (0.70) KMT2AMEN1POLBCA12CA1
SCHEMBL4689720 0.88 KMT2A (0.68) KMT2AMEN1POLBCA12CA1
SCHEMBL142197 0.86 CA12 (0.68) KMT2AMEN1POLBCA12CA1
SCHEMBL28866336 0.86 CA12 (0.64) KMT2AMEN1POLBCA12CA1
SCHEMBL4041594 0.86 CHRNA7 (0.64) KMT2AMEN1POLBCA12CA1
SCHEMBL19313021 0.85 CA12 (0.67) KMT2AMEN1POLBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287736-A Pyrrolopyrimidine derivatives as SYK inhibitors GLAXO GROUP LTD (GB) 2008-10-15 CN disclosed
EP-1948659-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 EP disclosed
EP-1948658-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 EP disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20080004295-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
WO-2007042298-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 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-20080004295-A1 NOVEL COMPOUNDS SYK, BTK, LCK KMT2A 2308/4885MEN1 4790/4885POLB 2266/4885

“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.