SCHEMBL10137307

SCHEMBL10137307

CN(C)CCOc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.58
CHRNA4 P43681 1/20 0.58
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 5/20 0.49
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
USP7 Q93009 1/20 0.46
USP47 Q96K76 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.44
KCNH2 Q12809 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL3858737 0.86 KDM4E (0.56) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL6807358 0.85 MAPT (0.46) CHRNB2CHRNA4ALDH1A1MAPTGAA
SCHEMBL30578533 0.84 MAPT (0.61) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL8915357 0.84 MAPT (0.61) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL28853175 0.84 MAPT (0.60) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL1962346 0.83 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL109773 0.83 MAPT (0.72) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL30380932 0.83 CHRNB2 (0.58) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL1961769 0.82 CHRNB2 (0.57) CHRNB2CHRNA4KDM4EALDH1A1MAPT
SCHEMBL30344322 0.81 CHRNB2 (0.59) CHRNB2CHRNA4KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961750-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D]PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS Amgen Inc. (US) 2016-01-06 EP disclosed
WO-2014134308-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS AMGEN INC. (US) 2014-09-04 WO disclosed
WO-2014134308-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS AMGEN INC. (US) 2014-09-04 WO disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
WO-2009108912-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-09-03 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 (2 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-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 CHRNB2 4863/4885CHRNA4 4853/4885KDM4E 736/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 CHRNB2 4863/4885CHRNA4 4853/4885KDM4E 736/4885

“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.