SCHEMBL15040604

SCHEMBL15040604

COc1ccc(C)cc1C(C)(C)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
NR3C1 P04150 5/20 0.43
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
USP2 O75604 2/20 0.41
NR3C2 P08235 3/20 0.40
SLC13A5 Q86YT5 1/20 0.40
MEN1 O00255 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PGR P06401 2/20 0.38

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
SCHEMBL12475846 0.85 ACHE (0.50) ACHEALDH1A1CYP3A4NR3C1KMT2A
SCHEMBL3534896 0.84 ACHE (0.54) ACHEALDH1A1CYP3A4NR3C1KMT2A
SCHEMBL1038127 0.83 ACHE (0.58) ACHEALDH1A1CYP3A4KMT2AGAA
SCHEMBL18430725 0.80 ALDH1A1 (0.57) ALDH1A1CYP3A4NR3C1KMT2AGAA
SCHEMBL17286695 0.79 SMN1; SMN2 (0.59) ACHEALDH1A1CYP3A4NR3C1NR3C2
SCHEMBL22909945 0.79 NR3C2 (0.45) ACHEALDH1A1CYP3A4NR3C1KMT2A
SCHEMBL4820133 0.78 PTGDR2 (0.45) ALDH1A1KMT2AGAAUSP2MEN1
SCHEMBL4309317 0.78 NR3C2 (0.54) NR3C1NR3C2PGR
SCHEMBL18810414 0.78 ESR1 (0.39) ACHEALDH1A1CYP3A4NR3C1GAA
SCHEMBL10300149 0.78 TRPV4 (0.44) ALDH1A1NR3C1KMT2ANR3C2MEN1

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
EP-2791120-B1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-02-24 EP disclosed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US disclosed
US-9115121-B2 1,3,5-triazine-2-amine derivatives, preparation thereof and diagnostic and therapeutic use thereof SANOFI (FR) 2015-08-25 US disclosed
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof SANOFI (FR) 2014-11-20 US disclosed
US-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof SANOFI (FR) 2014-11-20 US disclosed
WO-2013087643-A1 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-06-20 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-20140343061-A1 1,3,5 -Triazine-2-Amine Derivatives, Preparation Thereof And Diagnostic And Therapeutic Use Thereof ALK, HRH3, HRH4 ACHE 4542/4885ALDH1A1 492/4885CYP3A4 678/4885

“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.