SCHEMBL3124584

SCHEMBL3124584

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.45
MAPT P10636 5/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KAT2B Q92831 1/20 0.41
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
BRAF P15056 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
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
SCHEMBL15564857 0.85 VCAM1 (0.45) VCAM1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL25296472 0.85 KMT2A (0.41) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL4093917 0.85 VCAM1 (0.45) VCAM1MAPTKMT2AGAASMN1; SMN2
SCHEMBL2430950 0.84 MAPT (0.52) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL13221948 0.83 VCAM1 (0.43) VCAM1MAPTKMT2AGAASMN1; SMN2
SCHEMBL19371273 0.83 PKM (0.44) VCAM1MAPTKMT2AGAASMN1; SMN2
SCHEMBL8893024 0.82 HPD (0.46) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL3118623 0.82 KMT2A (0.49) VCAM1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7677183 0.82 ALDH1A1 (0.56) MAPTKMT2AGAASMN1; SMN2MEN1
SCHEMBL6217577 0.82 VCAM1 (0.51) VCAM1MAPTKMT2AMEN1KAT2B

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-8618121-B2 9H-pyrimido[4,5-B]indoles, 9H-pyrido[4',3':4,5]pyrrolo[2,3-D]pyridines, and 9H 1,3,6,9 tetraaza-fluorenes as CHK1 kinase function inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-12-31 US disclosed
US-20100210639-A1 9H-PYRIMIDO[4,5-B]INDOLES, 9H-PYRIDO[4',3':4,5]PYRROLO[2,3-D]PYRIDINES, AND 9H 1,3,6,9 TETRAAZA-FLUORENES AS CHK1 KINASE FUNCTION INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-08-19 US disclosed
EP-2170886-A1 9H-PYRIMIDO[4,5-B]INDOLES, 9H-PYRIDO[4',3':4,5]PYRROLO[2,3-D]PYRIDINES, AND 9H-1,3,6,9-TETRAAZA-FLUORENES AS CHK1 KINASE FUNCTION INHIBITORS Cancer Research Technology Limited (GB) 2010-04-07 EP disclosed
WO-2009004329-A1 9H-PYRIMIDO[4,5-B]INDOLES, 9H-PYRIDO[4',3':4,5]PYRROLO[2,3-D]PYRIDINES, AND 9H-1,3,6,9-TETRAAZA-FLUORENES AS CHK1 KINASE FUNCTION INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-01-08 WO disclosed
WO-2009004329-A1 9H-PYRIMIDO[4,5-B]INDOLES, 9H-PYRIDO[4',3':4,5]PYRROLO[2,3-D]PYRIDINES, AND 9H-1,3,6,9-TETRAAZA-FLUORENES AS CHK1 KINASE FUNCTION INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-01-08 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-20100210639-A1 9H-PYRIMIDO[4,5-B]INDOLES, 9H-PYRIDO[4',3':4,5]PYRROLO[2,3-D]PYRIDINES, AND 9H 1,3,6,9 TETRAAZA-FLUORENES AS CHK1 KINASE FUNCTION INHIBITORS CHEK1, CHEK2, PLK1 VCAM1 3541/4885MAPT 830/4885KMT2A 1117/4885

“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.