SCHEMBL2849201

SCHEMBL2849201

COc1ccc(N)c(NCCNC(C)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.51
MTNR1B P49286 15/20 0.51
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 2/20 0.44
TXNRD1 Q16881 1/20 0.44
HTR2C P28335 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3408155 0.83 LATS1 (0.48)
SCHEMBL94186 0.81 TNF (0.43) MTNR1AMTNR1BALDH1A1KDM4ETSHR
SCHEMBL29634740 0.81 TNF (0.43) MTNR1AMTNR1BALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL7591939 0.80 TNF (0.43) MTNR1AMTNR1BALDH1A1KDM4ETSHR
SCHEMBL12046243 0.79 APP (0.45) MTNR1AMTNR1BCYP1A2ALDH1A1KDM4E
SCHEMBL5832677 0.79 TXNRD1 (0.63) MTNR1AMTNR1BCYP1A2CYP2D6ALOX15
SCHEMBL4309162 0.78 MEN1 (0.42) MTNR1AMTNR1BALDH1A1TDP1TSHR
SCHEMBL198171 0.78 LDHA (0.43) CYP1A2CYP2D6ALOX15ALDH1A1KDM4E
SCHEMBL5833312 0.78 MTNR1A (0.37) MTNR1AMTNR1BCYP1A2CYP2D6ALOX15
SCHEMBL29393618 0.78 LDHA (0.43) CYP1A2CYP2D6ALOX15ALDH1A1KDM4E

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
US-7044987-B2 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2006-05-16 US claimed
EP-1551806-A1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2005-07-13 EP claimed
US-20050060814-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-03-24 US claimed
WO-2004031152-A1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES L'OREAL (FR) 2004-04-15 WO claimed
EP-1551806-B1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES OREAL (FR) 2010-01-20 EP disclosed
US-7044987-B2 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2006-05-16 US disclosed
US-20050060814-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-03-24 US 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-20050060814-A1 Novel 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a monosubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 MTNR1A 1743/4885MTNR1B 1385/4885CYP1A2 1150/4885

“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.