SCHEMBL16249235

SCHEMBL16249235

Cc1cc2c(Cl)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 1/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
STS P08842 1/20 0.39
NR1H3 Q13133 3/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL24076657 0.85 NR1H2 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL599783 0.83 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL19013557 0.83 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL29631890 0.83 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL18989947 0.83 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL16249232 0.82 NR1H2 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL7475769 0.82 NR1H2 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL17220648 0.82 NR1H2 (0.55) NR1H2NR1H3TTK
SCHEMBL19013606 0.82 CHRM2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL13291543 0.81 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3

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
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

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 NR1H2 2088/4885CHRM2 135/4885CHRM4 498/4885

“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.