SCHEMBL5157677

SCHEMBL5157677

COc1ccc(N)c(CNCC(O)CO)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 11/20 0.36
PDCD1 Q15116 5/20 0.36
PDCD1LG2 Q9BQ51 4/20 0.32
ROCK2 O75116 2/20 0.32
ADORA2A P29274 1/20 0.31
PNP P00491 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL5159318 0.80 CD274 (0.44) CD274PDCD1PDCD1LG2
SCHEMBL5363195 0.79 TXNRD1 (0.45)
SCHEMBL2268915 0.78 KCNA5 (0.39) P2RX3P2RX2
SCHEMBL5245987 0.76 NNMT (0.41) ADORA2AMTNR1AMTNR1BCYP3A4
SCHEMBL6935324 0.71 NNMT (0.38) ADORA2AMTNR1AMTNR1B
SCHEMBL5159486 0.70 ALDH1A1 (0.38) CD274PDCD1PDCD1LG2MTNR1AMTNR1B
SCHEMBL15822496 0.69 PDE10A (0.40) MTNR1AMTNR1B
SCHEMBL30294896 0.69 PDE10A (0.40) MTNR1AMTNR1B
SCHEMBL5707601 0.69 LOXL2 (0.39) CD274PDCD1ADORA2AMTNR1AMTNR1B
SCHEMBL5157405 0.69 OPRM1 (0.32) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238211-B2 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2007-07-03 US claimed
EP-1551360-B1 6-ALKOXY-2,3-DIAMINOPYRIDINE COUPLERS IN WHICH THE POSITION 2 AMINO RADICAL IS A DISUBSTITUTED AMINO RADICAL AND USE OF SAID COUPLERS FOR THE DYEING OF KERATINOUS FIBRES OREAL (FR) 2007-01-24 EP claimed
US-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres VIDAL LAURENT 2006-05-04 US claimed
US-7238211-B2 6-alkoxy-2,3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2007-07-03 US disclosed
US-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres VIDAL LAURENT 2006-05-04 US disclosed
US-20050086747-A1 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres L'OREAL S.A. (FR) 2005-04-28 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 (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-20060090270-A9 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 CD274 1882/4885PDCD1 819/4885PDCD1LG2 821/4885
US-20050086747-A1 Novel 6-alkoxy-2, 3-diaminopyridine couplers in which the amino radical in position 2 is a disubstituted amino radical, and use of these couplers for dyeing keratin fibres KRT18, QDPR, PYCR1 CD274 1882/4885PDCD1 819/4885PDCD1LG2 821/4885

“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.